A0A3Q0KD76_SCHMA Loading...

Putative dna repair protein xp-C / rad4

AlphaFold DB , UniProt , Accession A0A3Q0KD76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 933 aa.

						>A0A3Q0KD76_SCHMA|A0A3Q0KD76
MGRKSASLPCTPRRSTRQVRSTYEVQTAPENKKSVNPTKKRCQLTTTEKSPSSNKDEHLSVLNKHTKRRSKRISSSVGTQKSSLKETLGLEKESELFGDDKKLLTDSHFQDEFSDSDSSDFVSQCSSVERPKNKKKGNLRLFSQFKPKNVAKKLIKPSKNVNVVENLQSVVDNDSDDETEWVEVNDELTNEVDFMHNLLNSSSNTVPCEDGEKKPASLTVAIPFDSLAKKRSKQDPKLLELLALKRKLKEHYTLMHSVHVLCFLAHSRVVNRTCDSSLCRALGISLLANTNAVYNQKTKQFARLPLWSIEHVEACLVSLLSYQGIQICTEKNSCGDYEYQLVHRLLESKSTEGDCLILLVAALRSLGFDVRIILGLNPIPLSPSESATKILTSTTKETKSPNKGKHNRKIISSDEESIFDTDFDHHCDDENSKSSITLFAELFLPKLNRWVCIDPSSPTGVVDKVNFKHGSLYVVGACSVRSTSLELVSYVGRNPVDLSPRYVQDWCVSARTHRIPAEKWSSFLDIQSRFFDKDAAEYDALVSKSDTLPTFQRDSKDKDSIQEKLLSEPLPKRMQDFKNHPLYVLQRHLLKFQVIYPPDSIPLGYFRNEPVYSRDCLHLCHTRESWLKEAMTVRLHEKPAKVVKARLSMKRKLLQGSDSTPPTVEIFGPWQVEPYAPPKAENGIVPRNAHGNVDLFKPCMLPIGCAHLCLSGIQYIARKLGIDCAEAVVGWTFHGSGWAHPNIKGYVVCKESVPVLIDAWRTEQMNATKLEHEERIERVLKNWKRLVRGLFIWHRVKAQFALAPLHNKQTTVEKYEKNKTVKHKEVTSKKAIPLYLKEEEEKTLESSISLDIPAKNVETDKGWIRLGTADKAHLLPKLLPIAESCTPKRCNPPRKKRNAIKYEESSSEASDTEIPSSKYDSADEFVEKCDSSE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.3	Very low	40.1	Very low	252 Å²	252	151.8 Å²	151.8	100%	1.241	88%	0.882	S	S	*	*				0	156.7	0	-64.6	-165.8	-81.2	0	0	108.8
2	G	39.6	Very low	40.2	Very low	75 Å²	75	149.5 Å²	149.5	77%	0.773	88%	0.876	S	S	*	*			trans	178.1	169.1	177.1	0	0	0	0	0	115.9
3	R	42.5	Very low	39.8	Very low	247 Å²	247	157.2 Å²	157.2	93%	0.932	88%	0.881	S	S	*	*			trans	-164.4	123.7	164.8	-92.4	156.8	-172.1	-156.2	1.2	104.4
4	K	38.3	Very low	39.3	Very low	199 Å²	199	162.7 Å²	162.7	87%	0.865	88%	0.881	S	S	*	*				79.9	150.6	61.2	-83.6	-161	173.1	-173	0	113.7
5	S	41.9	Very low	39.2	Very low	127 Å²	127	159.5 Å²	159.5	89%	0.888	88%	0.876	S	S	*	*			trans	71.8	138.5	-178.1	65.7	0	0	0	0	116.5
6	A	46.4	Very low	38.8	Very low	103 Å²	103	156.7 Å²	156.7	85%	0.851	87%	0.865	S	S	*	*			cis	-149.9	156.1	-13.7	0	0	0	0	0	111.5
7	S	35.5	Very low	38.6	Very low	112 Å²	112	160.9 Å²	160.9	78%	0.783	87%	0.865	S	S	*	*			trans	-117.5	141.7	173.9	51.6	0	0	0	0	110.9
8	L	43.1	Very low	38.2	Very low	172 Å²	172	161.9 Å²	161.9	90%	0.901	86%	0.863	S	S	*	*			trans	-135.4	118.7	172.9	-79.2	173.4	0	0	0	110
9	P	34.6	Very low	38.2	Very low	118 Å²	118	160.1 Å²	160.1	77%	0.766	86%	0.858	S	S	*	*			trans	-98.3	127.9	172.1	34.2	-28	0	0	0	111.4
10	C	38.8	Very low	37.9	Very low	128 Å²	128	162.8 Å²	162.8	87%	0.865	86%	0.856	S	S	*	*			trans	-122.5	114	169.1	-81.7	0	0	0	0	110.5
11	T	35.5	Very low	37.6	Very low	137 Å²	137	160.2 Å²	160.2	84%	0.84	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-94.8	140	171.4	47	0	0	0	0	111
12	P	41.9	Very low	37.2	Very low	124 Å²	124	153.2 Å²	153.2	81%	0.805	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-97.5	155.3	154.1	-7.4	26.9	0	0	0	111
13	R	35.3	Very low	36.9	Very low	249 Å²	249	160.8 Å²	160.8	94%	0.94	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-72	137.4	-177	-77.6	175.6	166	175.7	-6.1	112.9	S15	R13-S15 PolarHBondContact O-N 2.83Å
14	R	32.7	Very low	36.5	Very low	235 Å²	235	156.4 Å²	156.4	89%	0.887	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-65.2	122.2	167.2	-161	-176.3	-164.4	179.6	4.9	109.7	T16	R14-T16 HydrophobicContact CG-CG2 4.19Å
15	S	37.3	Very low	36.3	Very low	115 Å²	115	153.5 Å²	153.5	80%	0.804	82%	0.818	S	S	*	*			trans	-121.9	98.9	170.2	-173.3	0	0	0	0	109.1	R13 R17	R13-S15 PolarHBondContact O-N 2.83Å; S15-R17 PolarHBondContact O-N 3.21Å
16	T	33.3	Very low	35.9	Very low	114 Å²	114	155 Å²	155	70%	0.699	81%	0.812	S	S	*	*			trans	-84.5	91.1	-177.4	46.7	0	0	0	0	110.9	R14 Q18	R14-T16 HydrophobicContact CG-CG2 4.19Å; T16-Q18 PolarHBondContact O-N 3.35Å
17	R	35.5	Very low	35.1	Very low	229 Å²	229	156.8 Å²	156.8	86%	0.864	81%	0.812	S	S	*	*			trans	-87.6	95.6	169.1	-161.8	176.8	-165.6	-174.7	3.5	109.4	S15 V19	S15-R17 PolarHBondContact O-N 3.21Å; R17-V19 PolarHBondContact O-N 2.97Å
18	Q	31.6	Very low	35.2	Very low	179 Å²	179	156 Å²	156	84%	0.836	81%	0.812	S	S	*	*			trans	-63.2	116.5	171.6	-75.4	-178.5	-30.7	0	0	109.7	T16	T16-Q18 PolarHBondContact O-N 3.35Å
19	V	36.7	Very low	34.8	Very low	126 Å²	126	154 Å²	154	76%	0.764	81%	0.81	S	S	*	*			trans	-95.6	102.8	164.6	-179.9	0	0	0	0	106.9	R17 S21	R17-V19 PolarHBondContact O-N 2.97Å; V19-S21 PolarHBondContact O-N 3.09Å
20	R	32.6	Very low	34.7	Very low	214 Å²	214	155.5 Å²	155.5	81%	0.808	81%	0.806	S	S	*	*			trans	-78.1	108.7	168.3	-91.7	-176.8	168	179.1	-5.2	108.7	T22	R20-T22 HydrophobicContact CB-CG2 4.4Å; R20-T22 PolarHBondContact O-N 3.46Å
21	S	31.8	Very low	34.7	Very low	109 Å²	109	157 Å²	157	76%	0.762	81%	0.806	S	S	*	*			trans	-80	102.5	158.2	40	0	0	0	0	108.7	V19	V19-S21 PolarHBondContact O-N 3.09Å
22	T	35.6	Very low	34.7	Very low	106 Å²	106	157.6 Å²	157.6	65%	0.65	80%	0.797	S	S	*	*			trans	-126.2	90.6	173.4	50.6	0	0	0	0	109.5	R20	R20-T22 HydrophobicContact CB-CG2 4.4Å; R20-T22 PolarHBondContact O-N 3.46Å
23	Y	34.4	Very low	34.4	Very low	233 Å²	233	161.2 Å²	161.2	91%	0.914	80%	0.8	S	S	*	*			trans	-98.2	82.2	164.3	-75.9	-75.6	0	0	0	108.5
24	E	33.7	Very low	34.3	Very low	156 Å²	156	154.2 Å²	154.2	73%	0.729	79%	0.789	S	S	*	*			trans	-93.8	120.2	164.8	-102.5	-174.2	117.9	0	0	109.2	Q26	E24-Q26 PolarHBondContact O-N 3.37Å; E24-Q26 PolarHBondContact OE1-NE2 2.8Å
25	V	32.9	Very low	34.4	Very low	137 Å²	137	149.8 Å²	149.8	83%	0.83	79%	0.788	S	S	*	*			trans	-88.1	104.6	172.5	178.2	0	0	0	0	107.7
26	Q	33.4	Very low	34.2	Very low	160 Å²	160	151.3 Å²	151.3	75%	0.748	79%	0.787	S	S	*	*			trans	-123.8	116	170.8	-68.4	-167.5	9.7	0	0	111	E24	E24-Q26 PolarHBondContact O-N 3.37Å; E24-Q26 PolarHBondContact OE1-NE2 2.8Å
27	T	30.8	Very low	34.7	Very low	139 Å²	139	150.4 Å²	150.4	85%	0.853	78%	0.783	S	S	*	*			trans	-84.1	131	170.3	47.2	0	0	0	0	110.4
28	A	37.7	Very low	34.8	Very low	95 Å²	95	145.1 Å²	145.1	79%	0.785	78%	0.776	S	S	*	*			trans	-142.5	146.3	169.2	0	0	0	0	0	110.8
29	P	35.2	Very low	34.9	Very low	132 Å²	132	145.6 Å²	145.6	86%	0.857	78%	0.776	S	S	*	*			trans	-97.8	-178.4	-164	39	-38.3	0	0	0	115.4
30	E	32.8	Very low	35	Very low	148 Å²	148	149.4 Å²	149.4	69%	0.692	78%	0.782	S	S	*	*			trans	-60.4	150	178.9	-51	-170.1	143.6	0	0	114.8	K32	E30-K32 IonicContact OE2-NZ 2.72Å
31	N	37.6	Very low	35	Very low	160 Å²	160	148.8 Å²	148.8	86%	0.856	78%	0.78	S	S	*	*				-152.7	171	122.6	-128.8	-63.3	0	0	0	114.2
32	K	35	Very low	35.2	Very low	149 Å²	149	149.3 Å²	149.3	65%	0.648	78%	0.782	S	S	*	*			trans	-106.7	171	-158.7	-66.6	161	-176.9	160.5	0	113.4	E30	E30-K32 IonicContact OE2-NZ 2.72Å
33	K	36.5	Very low	35.2	Very low	201 Å²	201	150.3 Å²	150.3	87%	0.874	78%	0.779	S	S	*	*			trans	87.1	146.8	167.4	-52.9	169.5	-176	174.2	0	115.8
34	S	32	Very low	35.3	Very low	102 Å²	102	146.7 Å²	146.7	71%	0.713	78%	0.775	S	S	*	*			cis	-175.1	168.4	-22.3	52.2	0	0	0	0	111
35	V	35.7	Very low	35.3	Very low	141 Å²	141	144.7 Å²	144.7	86%	0.855	77%	0.774	S	S	*	*			trans	89.3	120.4	160.3	-177.3	0	0	0	0	118.5
36	N	33.4	Very low	35.4	Very low	147 Å²	147	143.6 Å²	143.6	79%	0.786	77%	0.767	S	S	*	*			trans	-85.2	-170	172.9	-105	-38.2	0	0	0	111.3
37	P	44	Very low	35.5	Very low	96 Å²	96	141.6 Å²	141.6	62%	0.623	77%	0.766	S	S	*	*			cis	-135.7	-175.8	-37.5	34.7	-15.7	0	0	0	112.9
38	T	37.4	Very low	35.7	Very low	118 Å²	118	142.7 Å²	142.7	72%	0.724	76%	0.761	S	S	*	*				165.3	134	117.8	40.1	0	0	0	0	118.2
39	K	34.3	Very low	35.7	Very low	188 Å²	188	147.1 Å²	147.1	82%	0.817	76%	0.763	S	S	*	*			trans	45.6	119	135.4	-59.8	173.6	179.4	173.3	0	123.1
40	K	38.2	Very low	35.5	Very low	207 Å²	207	146.1 Å²	146.1	90%	0.9	76%	0.759	S	S	*	*				173.3	124.6	115.5	-90.2	158.4	-175.4	178.6	0	107.4
41	R	32.7	Very low	36.1	Very low	200 Å²	200	144.3 Å²	144.3	76%	0.755	76%	0.76	S	S	*	*			cis	91.8	104.7	35.2	-172.5	-177.7	179.9	-177.7	-0.3	114.7	Q43	R41-Q43 VanDerWaalsContact CZ-OE1 3.23Å
42	C	35.4	Very low	36	Very low	120 Å²	120	142 Å²	142	81%	0.811	76%	0.757	S	S	*	*			trans	-175.7	129.6	132	-89.4	0	0	0	0	106.2
43	Q	35.2	Very low	36	Very low	128 Å²	128	139.3 Å²	139.3	60%	0.598	76%	0.756	S	S	*	*			cis	82.4	112	27.8	-70.7	-166.7	-41.3	0	0	117.3	R41	R41-Q43 VanDerWaalsContact CZ-OE1 3.23Å
44	L	37.6	Very low	36	Very low	156 Å²	156	136.3 Å²	136.3	82%	0.817	75%	0.75	S	S	*	*				-169.2	117.7	117.8	-110.7	75.6	0	0	0	106.3
45	T	32.8	Very low	36.2	Very low	115 Å²	115	138.8 Å²	138.8	71%	0.706	75%	0.748	S	S	*	*				62.3	141.9	89.9	66.1	0	0	0	0	114.9
46	T	36.1	Very low	36.2	Very low	113 Å²	113	136.9 Å²	136.9	69%	0.693	73%	0.733	S	S	*	*			cis	-155.7	148	39.3	44.1	0	0	0	0	115.8
47	T	35.8	Very low	36.4	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.724	73%	0.73	S	S	*	*			trans	50	150.5	138.8	61	0	0	0	0	124.3
48	E	34.2	Very low	36	Very low	162 Å²	162	140.4 Å²	140.4	76%	0.757	74%	0.736	S	S	*	*			cis	-176.4	171.7	-26.7	-149	177.6	-117.3	0	0	111.5
49	K	38.5	Very low	35.5	Very low	189 Å²	189	142.4 Å²	142.4	82%	0.822	74%	0.742	S	S	*	*			trans	99.4	148.3	162.4	-62.6	-177.8	179.8	178.5	0	120.2
50	S	29.8	Very low	35.4	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	74%	0.737	S	S	*	*			trans	-163	-164.6	-163.4	63.7	0	0	0	0	108.1
51	P	45.4	Very low	34.9	Very low	109 Å²	109	134.8 Å²	134.8	71%	0.708	73%	0.732	S	S	*	*			cis	-134.9	-156.9	-11.5	40.8	-20.9	0	0	0	113.8
52	S	35.8	Very low	34.8	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	73%	0.733	S	S	*	*			trans	81	147.6	164.5	82.8	0	0	0	0	117.9
53	S	35.4	Very low	34.4	Very low	92 Å²	92	133.8 Å²	133.8	64%	0.643	73%	0.733	S	S	*	*			cis	-164.7	169.4	-16.7	49.9	0	0	0	0	111.6
54	N	36.2	Very low	34.2	Very low	138 Å²	138	135.5 Å²	135.5	74%	0.738	74%	0.738	S	S	*	*			trans	68.5	152.1	167.9	-58.5	-30.9	0	0	0	116.7
55	K	36.9	Very low	34.1	Very low	154 Å²	154	136.1 Å²	136.1	67%	0.67	74%	0.737	S	S	*	*			cis	-166.8	167.3	-13.4	-104.7	179	153.3	-72.9	0	105.8
56	D	36.2	Very low	33.9	Very low	101 Å²	101	137.3 Å²	137.3	54%	0.54	74%	0.744	S	S	.	*			cis	-161.6	168.3	6.1	-115	-21.2	0	0	0	111.9
57	E	36.4	Very low	33.9	Very low	156 Å²	156	141.2 Å²	141.2	73%	0.729	75%	0.751	S	S	*	*			trans	32.2	153.6	138.5	-60.2	-173.3	179.6	0	0	123.8
58	H	35	Very low	33.7	Very low	162 Å²	162	147.3 Å²	147.3	75%	0.75	76%	0.761	S	S	*	*			cis	-153.7	164.8	-8	-143.1	-81.5	0	0	0	112.1
59	L	28.7	Very low	33.7	Very low	160 Å²	160	151.7 Å²	151.7	84%	0.838	77%	0.771	S	S	*	*			trans	-104.2	135.8	165.5	-93.8	157.2	0	0	0	112.3
60	S	31	Very low	33.2	Very low	104 Å²	104	148.4 Å²	148.4	73%	0.727	77%	0.772	S	S	*	*			trans	-171.9	135	154.5	47.6	0	0	0	0	108.1
61	V	28.1	Very low	33.6	Very low	130 Å²	130	152.8 Å²	152.8	79%	0.788	78%	0.777	S	S	*	*				67	98.3	54.2	-174.9	0	0	0	0	113.4
62	L	30.3	Very low	32.9	Very low	148 Å²	148	158.8 Å²	158.8	78%	0.775	79%	0.785	S	S	*	*				-162.7	133.4	126.3	-134.8	85.1	0	0	0	113.4	K64	L62-K64 HydrophobicContact CD2-CD 4.3Å
63	N	28.1	Very low	32.8	Very low	152 Å²	152	161 Å²	161	81%	0.813	79%	0.787	S	S	*	*			trans	-95.2	133.7	164.7	-138.5	-19.9	0	0	0	108.1
64	K	30.9	Very low	32.7	Very low	163 Å²	163	161 Å²	161	71%	0.709	79%	0.786	S	S	*	*			trans	169.7	115.2	158.5	-95	146	-164.9	173.9	0	112.9	L62	L62-K64 HydrophobicContact CD2-CD 4.3Å
65	H	34.5	Very low	32.7	Very low	169 Å²	169	159.6 Å²	159.6	78%	0.782	79%	0.788	S	S	*	*				174.6	103.1	103	-96.2	-57.4	0	0	0	113.2
66	T	29.2	Very low	32.5	Very low	140 Å²	140	157 Å²	157	86%	0.859	79%	0.789	S	S	*	*			trans	-84.4	146.9	158.6	48.9	0	0	0	0	110.1
67	K	36.3	Very low	32.5	Very low	195 Å²	195	159.4 Å²	159.4	85%	0.848	81%	0.807	S	S	*	*			trans	-139	97.8	172.9	-98.8	-174.9	177.4	174.9	0	113
68	R	32.1	Very low	32.3	Very low	246 Å²	246	155.2 Å²	155.2	93%	0.928	81%	0.806	S	S	*	*			trans	18.6	122.8	147.2	-68.2	176	164.5	-179.1	-5.8	118.7
69	R	32.4	Very low	32.2	Very low	255 Å²	255	153.6 Å²	153.6	96%	0.962	81%	0.807	S	S	*	*				-157.7	129.9	119.9	-130.7	177.4	-177	-177	1.2	111.9
70	S	29.1	Very low	32.4	Very low	120 Å²	120	155.3 Å²	155.3	84%	0.839	81%	0.811	S	S	*	*			trans	-130.2	130.2	178.9	-46.9	0	0	0	0	111.2
71	K	37.7	Very low	32.4	Very low	203 Å²	203	159.4 Å²	159.4	88%	0.883	82%	0.815	S	S	*	*			trans	-152	116	156.6	-77.6	-171.5	175.2	-175.5	0	104.7
72	R	30.5	Very low	32.7	Very low	235 Å²	235	159.1 Å²	159.1	89%	0.887	82%	0.82	S	S	*	*				84	140.7	60.4	-165.2	-173.2	-142.6	-158.9	8.5	110.8
73	I	35	Very low	32.6	Very low	159 Å²	159	157.4 Å²	157.4	82%	0.815	82%	0.82	S	S	*	*			trans	83.3	143.1	-174.8	-51.2	165.7	0	0	0	112.2
74	S	31.9	Very low	32.8	Very low	90 Å²	90	158 Å²	158	63%	0.629	82%	0.822	S	S	*	*				-179.7	170.4	-60.6	50.7	0	0	0	0	109.3
75	S	36	Very low	32.8	Very low	110 Å²	110	159.4 Å²	159.4	77%	0.769	83%	0.828	S	S	*	*			trans	63.4	150.9	172.6	47.9	0	0	0	0	117.1
76	S	33.9	Very low	32.7	Very low	99 Å²	99	159.4 Å²	159.4	69%	0.692	83%	0.829	S	S	*	*			cis	-172.7	144.8	-16	47.9	0	0	0	0	111.3
77	V	35.6	Very low	32.8	Very low	152 Å²	152	158 Å²	158	92%	0.921	82%	0.82	S	S	*	*			trans	62.6	140.1	146.5	175.5	0	0	0	0	117.7
78	G	32.5	Very low	32.5	Very low	68 Å²	68	156.1 Å²	156.1	70%	0.701	82%	0.818	S	S	*	*			cis	-168.7	172.7	1.8	0	0	0	0	0	114.5
79	T	32.1	Very low	32.5	Very low	128 Å²	128	147.9 Å²	147.9	79%	0.785	81%	0.81	S	S	*	*			trans	-104.6	156	-174.8	-29.2	0	0	0	0	110.6
80	Q	33	Very low	32.6	Very low	196 Å²	196	142.8 Å²	142.8	92%	0.916	80%	0.801	S	S	*	*			trans	-154.9	151.6	130.6	-114.7	169.2	27.7	0	0	112.9
81	K	31.9	Very low	32.9	Very low	189 Å²	189	143.7 Å²	143.7	82%	0.822	79%	0.792	S	S	*	*			trans	-114.4	161.6	171.2	-57.7	173.4	177.1	178.3	0	107.6
82	S	33.1	Very low	32.9	Very low	125 Å²	125	141 Å²	141	87%	0.874	78%	0.781	S	S	*	*				-172.5	159.5	125.5	46.7	0	0	0	0	112
83	S	28.3	Very low	33.1	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	77%	0.774	S	S	*	*			trans	-153	124.3	-178.7	57	0	0	0	0	111.4
84	L	32.7	Very low	33.1	Very low	166 Å²	166	134.1 Å²	134.1	87%	0.869	77%	0.765	S	S	*	*			trans	-139.3	124.9	163.2	-68.2	172	0	0	0	105
85	K	30.4	Very low	33.2	Very low	191 Å²	191	137.2 Å²	137.2	83%	0.83	77%	0.769	S	S	*	*			cis	82.8	146.2	29.4	-145.8	-172.1	-170.4	-164.2	0	112.9
86	E	32.2	Very low	33.1	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.794	77%	0.767	S	S	*	*			trans	87.9	150.7	176.6	-57.9	-169.7	169.5	0	0	118.6
87	T	31.1	Very low	33.1	Very low	111 Å²	111	143.9 Å²	143.9	68%	0.681	78%	0.778	S	S	*	*				-164.6	159.8	-60.3	9.1	0	0	0	0	113.9
88	L	31	Very low	33.1	Very low	154 Å²	154	139.6 Å²	139.6	81%	0.806	77%	0.765	S	S	*	*			trans	75.3	151.5	146.2	-74.9	161.5	0	0	0	121.7	L90	L88-L90 HydrophobicContact CD2-CD1 4.43Å
89	G	32.3	Very low	33.2	Very low	74 Å²	74	142.6 Å²	142.6	76%	0.763	77%	0.765	S	S	*	*			trans	118.2	115.6	167.7	0	0	0	0	0	115.9
90	L	33.1	Very low	33.5	Very low	147 Å²	147	142.8 Å²	142.8	77%	0.77	76%	0.761	S	S	*	*			cis	174.3	169.5	-45.4	-111.2	169.2	0	0	0	106.6	L88	L88-L90 HydrophobicContact CD2-CD1 4.43Å
91	E	36.8	Very low	33.8	Very low	139 Å²	139	139.9 Å²	139.9	65%	0.65	75%	0.745	S	S	*	*			trans	79.6	106.2	168.4	-46.9	-134.4	111.8	0	0	115.5
92	K	36.4	Very low	33.9	Very low	147 Å²	147	137.3 Å²	137.3	64%	0.639	73%	0.734	S	S	*	*				89.3	146.1	72.5	-79.7	175	177.7	162.7	0	111.7
93	E	35.2	Very low	33.8	Very low	161 Å²	161	137.4 Å²	137.4	75%	0.752	72%	0.724	S	S	*	*			cis	-160.8	162.1	-5.8	-113.4	150.8	-171.8	0	0	105.4
94	S	35.9	Very low	33.8	Very low	89 Å²	89	139.9 Å²	139.9	62%	0.622	73%	0.728	S	S	*	*			cis	-146.1	-155.3	3.9	50	0	0	0	0	107.9
95	E	33.6	Very low	33.9	Very low	154 Å²	154	138.1 Å²	138.1	72%	0.72	72%	0.724	S	S	*	*			cis	-163.3	174.8	3.8	-142.8	156.1	-72.9	0	0	112.2
96	L	33.3	Very low	33.9	Very low	139 Å²	139	135.9 Å²	135.9	73%	0.728	72%	0.721	S	S	*	*			trans	25.5	97.8	156	-75.7	160.9	0	0	0	121.4
97	F	35.4	Very low	33.8	Very low	210 Å²	210	133.7 Å²	133.7	92%	0.921	73%	0.725	S	S	*	*				-174.7	143.8	110.8	-105.3	-73.6	0	0	0	110.5
98	G	34	Very low	33.9	Very low	62 Å²	62	135.5 Å²	135.5	64%	0.639	73%	0.725	S	S	*	*			trans	-76.3	150.3	176.7	0	0	0	0	0	113.1
99	D	36	Very low	33.9	Very low	132 Å²	132	136.7 Å²	136.7	71%	0.706	72%	0.724	S	S	*	*				61.2	128.1	64.4	-84.3	-19.3	0	0	0	112.8	K101	D99-K101 IonicContact OD1-NZ 2.67Å; D99-K101 PolarHBondContact OD1-NZ 3.43Å; D99-K101 IonicContact OD2-NZ 3.39Å; D99-K101 PolarHBondContact OD2-NZ 2.95Å
100	D	37.4	Very low	33.8	Very low	132 Å²	132	140 Å²	140	71%	0.706	72%	0.72	S	S	*	*			cis	-124.7	146.1	23.9	-86.5	-51.1	0	0	0	113.4
101	K	38.6	Very low	33.8	Very low	134 Å²	134	139.4 Å²	139.4	58%	0.583	72%	0.718	S	S	*	*				62.7	134.9	69	-68.2	-168.4	-150.4	66.5	0	113.6	D99	D99-K101 IonicContact OD1-NZ 2.67Å; D99-K101 PolarHBondContact OD1-NZ 3.43Å; D99-K101 IonicContact OD2-NZ 3.39Å; D99-K101 PolarHBondContact OD2-NZ 2.95Å
102	K	35.7	Very low	33.6	Very low	135 Å²	135	140.7 Å²	140.7	59%	0.587	72%	0.724	S	S	*	*			cis	-137.9	166.1	-6.5	-77.5	155.8	175.7	178.1	0	106.3	E933	K102-E933 IonicContact NZ-OE1 2.73Å; K102-E933 PolarHBondContact NZ-OE1 3.43Å; K102-E933 IonicContact NZ-OE2 3.61Å; K102-E933 PolarHBondContact NZ-OE2 2.72Å
103	L	31.3	Very low	33.5	Very low	128 Å²	128	143.6 Å²	143.6	67%	0.67	74%	0.737	S	S	*	*				-171.1	135.8	67.4	-104.9	166.5	0	0	0	108.7
104	L	27.9	Very low	33.4	Very low	163 Å²	163	140 Å²	140	85%	0.853	73%	0.73	S	S	*	*			trans	-154.1	117.9	177.6	-140.2	171.5	0	0	0	109.7
105	T	33.5	Very low	33.2	Very low	129 Å²	129	142.1 Å²	142.1	79%	0.791	73%	0.733	S	S	*	*			trans	-134.2	85.1	171.7	49.8	0	0	0	0	110.6
106	D	31.2	Very low	33.3	Very low	143 Å²	143	140.2 Å²	140.2	77%	0.765	74%	0.738	S	S	*	*				46	110.3	129	-118.8	-25	0	0	0	119.3
107	S	30.9	Very low	33.2	Very low	125 Å²	125	139.9 Å²	139.9	87%	0.874	74%	0.736	S	S	*	*			trans	-147.3	63.9	162.5	54.8	0	0	0	0	111.5
108	H	32.6	Very low	33.2	Very low	149 Å²	149	133.2 Å²	133.2	69%	0.69	72%	0.716	S	S	*	*			trans	-108.3	106.1	172.1	-125	-70.9	0	0	0	111.3
109	F	30.7	Very low	32.9	Very low	178 Å²	178	133.2 Å²	133.2	78%	0.781	71%	0.706	S	S	*	*			trans	-136.9	110.2	158	-150.9	-89.1	0	0	0	108.4	D111	F109-D111 WeakPolarHBondContact CE1-OD2 3.37Å
110	Q	29.9	Very low	32.8	Very low	144 Å²	144	130.8 Å²	130.8	67%	0.673	69%	0.693	S	S	*	*			trans	-92.4	124.4	171.5	-66.5	172.2	-73.9	0	0	107.7
111	D	34.5	Very low	32.5	Very low	135 Å²	135	131.7 Å²	131.7	72%	0.722	69%	0.691	S	S	*	*			trans	-115.7	102.3	154.7	-87.1	-46.1	0	0	0	107.1	F109	F109-D111 WeakPolarHBondContact CE1-OD2 3.37Å
112	E	31.3	Very low	32.2	Very low	166 Å²	166	130.3 Å²	130.3	78%	0.776	69%	0.694	S	S	*	*			trans	-77	117.5	161.2	-67.6	-172.1	141	0	0	107.9
113	F	34	Very low	32	Very low	208 Å²	208	128.2 Å²	128.2	91%	0.912	70%	0.696	S	S	*	*			trans	-140.9	136	151.8	-105.3	-75.1	0	0	0	110.6
114	S	33.4	Very low	32	Very low	86 Å²	86	129.6 Å²	129.6	60%	0.601	70%	0.699	S	S	*	*			trans	-113.7	170.3	-170.3	58.5	0	0	0	0	112
115	D	31.8	Very low	32.1	Very low	132 Å²	132	126.1 Å²	126.1	71%	0.706	69%	0.687	S	S	*	*			trans	71.5	147.6	154	-49.9	-45.8	0	0	0	120.1
116	S	35.1	Very low	32.1	Very low	115 Å²	115	124 Å²	124	80%	0.804	68%	0.677	S	S	*	*			trans	67	146.6	149.5	-71	0	0	0	0	120.3
117	D	32.9	Very low	32	Very low	131 Å²	131	123.1 Å²	123.1	70%	0.701	68%	0.683	S	S	*	*			cis	-161.3	-178.2	-26.3	-159.2	-9.7	0	0	0	107
118	S	34	Very low	32.1	Very low	70 Å²	70	123 Å²	123	49%	0.49	68%	0.676	S	S	.	*			trans	33.7	123.2	143.8	70.9	0	0	0	0	120.3
119	S	29.1	Very low	32	Very low	62 Å²	62	124.5 Å²	124.5	43%	0.434	68%	0.684	S	S	.	*			trans	18.9	139.2	130.9	60.5	0	0	0	0	118.7	W863	S119-W863 VanDerWaalsContact CB-O 3.27Å; S119-W863 WeakPolarHBondContact CB-O 3.17Å; S119-W863 PolarHBondContact OG-O 2.92Å
120	D	34	Very low	32	Very low	81 Å²	81	123.8 Å²	123.8	43%	0.433	68%	0.676	S	S	.	*				172.8	174.2	69	-172.6	28.3	0	0	0	112.8	G862 W863	D120-G862 WeakPolarHBondContact OD2-CA 3.48Å; D120-W863 WeakPolarHBondContact OD2-CB 3.48Å; D120-W863 PolarHBondContact OD2-N 3.24Å
121	F	29.8	Very low	32.1	Very low	152 Å²	152	122.2 Å²	122.2	67%	0.667	68%	0.678	S	S	*	*			trans	77.1	136.8	146.1	-140.1	-106.1	0	0	0	121.3	W863	F121-W863 AromaticContact CD2-CD1 3.8Å; F121-W863 AromaticContact CD2-NE1 3.98Å; F121-W863 AromaticContact CE2-NE1 3.72Å
122	V	31.6	Very low	32	Very low	105 Å²	105	125.2 Å²	125.2	64%	0.636	69%	0.685	S	S	*	*			trans	-82.3	129.8	178.1	173.6	0	0	0	0	110.8	Q124	V122-Q124 HydrophobicContact CG1-CG 4.03Å
123	S	32.3	Very low	32.1	Very low	90 Å²	90	124.7 Å²	124.7	63%	0.629	69%	0.687	S	S	*	*			trans	-119	127.2	148.6	-175.7	0	0	0	0	110.1	R775	S123-R775 PolarHBondContact OG-NH2 2.93Å
124	Q	32	Very low	31.9	Very low	157 Å²	157	124.3 Å²	124.3	73%	0.734	69%	0.685	S	S	*	*			trans	-84.6	178.1	169.4	-65.9	177.5	-16.6	0	0	110.9	V122	V122-Q124 HydrophobicContact CG1-CG 4.03Å
125	C	29.3	Very low	32	Very low	90 Å²	90	130.2 Å²	130.2	61%	0.608	70%	0.7	S	S	*	*			trans	77.8	144.7	-171.7	-56.1	0	0	0	0	113.8
126	S	32.9	Very low	31.8	Very low	84 Å²	84	134 Å²	134	59%	0.587	71%	0.71	S	S	*	*			cis	-138.7	138.9	-1.2	59.5	0	0	0	0	112.8	V128	S126-V128 PolarHBondContact O-N 3.02Å
127	S	29.6	Very low	31.7	Very low	126 Å²	126	132.1 Å²	132.1	88%	0.881	71%	0.709	S	S	*	*			trans	-82	108.9	168.7	-60.8	0	0	0	0	110
128	V	33.4	Very low	31.6	Very low	121 Å²	121	133.4 Å²	133.4	73%	0.733	72%	0.716	S	S	*	*			trans	-95.4	100.9	173.1	-178.2	0	0	0	0	109.8	S126	S126-V128 PolarHBondContact O-N 3.02Å
129	E	31.3	Very low	31.7	Very low	182 Å²	182	138.6 Å²	138.6	85%	0.85	74%	0.737	S	S	*	*			trans	-61.9	147.3	173	-66.6	-159.5	133.9	0	0	112
130	R	29.5	Very low	31.6	Very low	162 Å²	162	146.5 Å²	146.5	61%	0.611	76%	0.758	S	S	*	*			trans	-108.1	126.9	173.7	-72.5	-172.8	173.3	-178.8	-1.2	111.9	K132 Y715	R130-K132 PolarHBondContact O-N 2.93Å; R130-Y715 VanDerWaalsContact NH1-CE1 3.33Å; R130-Y715 VanDerWaalsContact NH1-CZ 3.28Å; R130-Y715 PolarHBondContact NH1-OH 3.4Å
131	P	31.6	Very low	31.6	Very low	112 Å²	112	149.6 Å²	149.6	73%	0.727	77%	0.773	S	S	*	*			trans	-70.5	115.6	-174.8	27.2	-34.3	0	0	0	112	N133	P131-N133 PolarHBondContact O-N 3.44Å
132	K	32.3	Very low	31.7	Very low	197 Å²	197	151.3 Å²	151.3	86%	0.857	78%	0.781	S	S	*	*			trans	-77.4	81.2	174.5	-72.1	178.9	178.9	170.7	0	111.2	R130 K134	R130-K132 PolarHBondContact O-N 2.93Å; K132-K134 PolarHBondContact O-N 3.42Å
133	N	34.4	Very low	31.7	Very low	155 Å²	155	151.2 Å²	151.2	83%	0.829	78%	0.784	S	S	*	*			trans	-62.2	101.5	175.7	-90.6	-27.6	0	0	0	112.4	P131 K135	P131-N133 PolarHBondContact O-N 3.44Å; N133-K135 PolarHBondContact O-N 3.1Å
134	K	30.6	Very low	31.7	Very low	201 Å²	201	154.3 Å²	154.3	87%	0.874	79%	0.789	S	S	*	*			trans	-77.9	99.7	175.9	-68.3	176.7	-179.2	172.2	0	111.3	K132	K132-K134 PolarHBondContact O-N 3.42Å
135	K	35.3	Very low	31.8	Very low	209 Å²	209	157 Å²	157	91%	0.909	80%	0.799	S	S	*	*			trans	-81	118.4	159.1	-82.5	-173.3	173.5	-179.9	0	109.9	N133	N133-K135 PolarHBondContact O-N 3.1Å
136	K	27.8	Very low	32.2	Very low	213 Å²	213	161.2 Å²	161.2	93%	0.926	81%	0.807	S	S	*	*			trans	-73.9	127.5	169.2	-69.3	177.5	178	175.5	0	108.9
137	G	32.6	Very low	32.1	Very low	75 Å²	75	163.1 Å²	163.1	77%	0.773	82%	0.817	S	S	*	*			trans	-125.7	113.3	168.6	0	0	0	0	0	109.8
138	N	31.3	Very low	32.4	Very low	158 Å²	158	166.7 Å²	166.7	85%	0.845	82%	0.817	S	S	*	*			trans	-84.9	115.3	176.3	-100.7	-12.4	0	0	0	109.8
139	L	35.9	Very low	32.3	Very low	179 Å²	179	168.8 Å²	168.8	94%	0.937	82%	0.824	S	S	*	*			trans	-135.2	98.5	156.4	-77.6	177.7	0	0	0	109.4
140	R	26.4	Very low	32.5	Very low	228 Å²	228	166.1 Å²	166.1	86%	0.86	82%	0.819	S	S	*	*			trans	-87.9	137.8	157.9	-70.5	176.6	170.4	179	-3.8	107.4
141	L	33.5	Very low	32.5	Very low	145 Å²	145	163.1 Å²	163.1	76%	0.759	83%	0.829	S	S	*	*			trans	-163.3	119	152.9	-133.5	77.3	0	0	0	110.9
142	F	32.4	Very low	32.7	Very low	189 Å²	189	167.4 Å²	167.4	83%	0.829	84%	0.837	S	S	*	*			trans	51.1	155.2	150.2	-59.5	-34.4	0	0	0	121.8
143	S	31.7	Very low	32.4	Very low	102 Å²	102	167 Å²	167	71%	0.713	84%	0.835	S	S	*	*			cis	-151	159.8	-22.9	-170.2	0	0	0	0	111
144	Q	31.5	Very low	32.3	Very low	155 Å²	155	167.1 Å²	167.1	72%	0.724	83%	0.834	S	S	*	*			trans	-55.2	140.3	-176	-49.9	167	24.9	0	0	115.1
145	F	35.2	Very low	32.4	Very low	215 Å²	215	164.5 Å²	164.5	94%	0.943	83%	0.829	S	S	*	*			trans	-138	143.6	145.1	-93.8	-83	0	0	0	109.6
146	K	36.6	Very low	32.1	Very low	178 Å²	178	163.9 Å²	163.9	77%	0.774	83%	0.826	S	S	*	*			trans	-104.3	139.6	-172.9	-62.7	178	-178.6	176.8	0	111.5
147	P	31	Very low	32.3	Very low	123 Å²	123	159.8 Å²	159.8	80%	0.799	82%	0.821	S	S	*	*			trans	-73.4	150.4	168.3	32	-34.2	0	0	0	111.2
148	K	37	Very low	32.1	Very low	201 Å²	201	161.3 Å²	161.3	87%	0.874	82%	0.82	S	S	*	*			trans	-114.6	119.3	167.3	-80.7	-175.3	174.8	179.9	0	109.7
149	N	29.5	Very low	32.4	Very low	166 Å²	166	163.7 Å²	163.7	89%	0.888	82%	0.823	S	S	*	*			trans	-74.6	130.6	169.1	-75.9	-28.7	0	0	0	110.3
150	V	35.9	Very low	32	Very low	125 Å²	125	162.2 Å²	162.2	76%	0.758	82%	0.816	S	S	*	*			trans	-135.8	106.7	159.3	-179.4	0	0	0	0	107.9
151	A	29.5	Very low	32.2	Very low	99 Å²	99	157 Å²	157	82%	0.818	81%	0.809	S	S	*	*			trans	-83.4	133.4	171.9	0	0	0	0	0	110.1
152	K	35.6	Very low	32.1	Very low	202 Å²	202	157.4 Å²	157.4	88%	0.878	81%	0.812	S	S	*	*			trans	-130.1	142.5	159.8	-77.4	-166.8	174.4	-177.2	0	110.4
153	K	27.9	Very low	31.9	Very low	190 Å²	190	154.8 Å²	154.8	83%	0.826	81%	0.811	S	S	*	*			trans	-127.4	110.9	-159.1	170.1	-165.7	178.8	-173.9	0	109
154	L	30.6	Very low	31.8	Very low	156 Å²	156	156 Å²	156	82%	0.817	81%	0.814	S	S	*	*			trans	-144	105.5	162.7	-90.2	110	0	0	0	107.4
155	I	33.2	Very low	31.6	Very low	146 Å²	146	156.1 Å²	156.1	75%	0.749	82%	0.815	S	S	*	*				79.3	112.6	89.4	-71.5	166.7	0	0	0	111.8
156	K	28.3	Very low	31.3	Very low	196 Å²	196	152.9 Å²	152.9	85%	0.852	81%	0.807	S	S	*	*			trans	-107	143.7	157.2	-66.4	-179	176.2	-175.6	0	108.1
157	P	33.5	Very low	30.8	Very low	128 Å²	128	151.2 Å²	151.2	83%	0.831	81%	0.806	S	S	*	*			trans	-87.2	139.9	151.1	33.7	-28.4	0	0	0	109.9
158	S	28.7	Very low	30.7	Very low	107 Å²	107	154.1 Å²	154.1	75%	0.748	81%	0.809	S	S	*	*			trans	-123.9	136.6	171.1	51	0	0	0	0	109.3
159	K	36.9	Very low	30.2	Very low	207 Å²	207	148.8 Å²	148.8	90%	0.9	80%	0.797	S	S	*	*			trans	-129.4	116.1	166.8	-80.3	-167.3	174	-174.2	0	110.5
160	N	27.9	Very low	30.3	Very low	148 Å²	148	147.3 Å²	147.3	79%	0.791	79%	0.794	S	S	*	*			trans	-72.3	171.9	149	-48.5	-21.6	0	0	0	106.9
161	V	29.3	Very low	30	Very low	120 Å²	120	146.7 Å²	146.7	73%	0.727	79%	0.79	S	S	*	*			cis	-142.3	156.4	8.3	-140.6	0	0	0	0	105.9
162	N	31.5	Very low	29.9	Very low	153 Å²	153	148.8 Å²	148.8	82%	0.818	79%	0.788	S	S	*	*				-173.9	162.2	85.7	-105.4	-20.8	0	0	0	111.2
163	V	27.9	Very low	29.5	Very low	133 Å²	133	147 Å²	147	81%	0.806	79%	0.787	S	S	*	*			trans	-115	130.5	175.8	175.5	0	0	0	0	109
164	V	29.7	Very low	29.5	Very low	127 Å²	127	145.9 Å²	145.9	77%	0.77	79%	0.791	S	S	*	*			trans	-142.5	148.3	156.1	-178.1	0	0	0	0	107.4
165	E	27.7	Very low	29.5	Very low	158 Å²	158	142.9 Å²	142.9	74%	0.738	78%	0.783	S	S	*	*			trans	-65.7	143.1	-173.2	-58.8	99.2	145.3	0	0	114.9
166	N	28.1	Very low	29.4	Very low	148 Å²	148	142.9 Å²	142.9	79%	0.791	78%	0.784	S	S	*	*				-157	105.8	126.5	-115.3	-14.9	0	0	0	110
167	L	27.7	Very low	29.5	Very low	143 Å²	143	140.4 Å²	140.4	75%	0.749	78%	0.78	S	S	*	*			trans	-78.7	176.9	154.2	-83.3	71	0	0	0	107.8
168	Q	27.5	Very low	29.3	Very low	183 Å²	183	142.5 Å²	142.5	86%	0.855	78%	0.779	S	S	*	*	S	Bend	trans	75.1	33.4	169.7	-122.5	70.3	6.9	0	0	118.1
169	S	28.3	Very low	29.6	Very low	90 Å²	90	141.3 Å²	141.3	63%	0.629	77%	0.767	S	S	*	*			trans	-146.8	2.8	167.2	64.2	0	0	0	0	117.5
170	V	29.9	Very low	29.1	Very low	135 Å²	135	137.8 Å²	137.8	82%	0.818	75%	0.754	S	S	*	*			trans	-111	61.1	172.3	-167.1	0	0	0	0	109.7
171	V	30	Very low	29.4	Very low	111 Å²	111	140.4 Å²	140.4	67%	0.673	75%	0.753	S	S	*	*	S	Bend	trans	-121.3	150.1	155.8	-162.5	0	0	0	0	104.1
172	D	28	Very low	29.4	Very low	144 Å²	144	136.8 Å²	136.8	77%	0.77	73%	0.731	S	S	*	*	S	Bend	trans	63.1	58.5	-179.4	-44.8	-34	0	0	0	115.2
173	N	26.2	Very low	29.5	Very low	163 Å²	163	135 Å²	135	87%	0.872	72%	0.718	S	S	*	*			trans	-179.9	81.4	146.7	-97.5	-61.4	0	0	0	111.4
174	D	29	Very low	29.6	Very low	168 Å²	168	132.2 Å²	132.2	90%	0.898	70%	0.701	S	S	*	*			trans	-143.6	122	152.9	-115.2	-32.8	0	0	0	108	D176	D174-D176 PolarHBondContact O-N 3.01Å
175	S	29.7	Very low	29.6	Very low	93 Å²	93	130.3 Å²	130.3	65%	0.65	69%	0.687	S	S	*	*			trans	-85.2	115.4	-165.9	-178.6	0	0	0	0	111.6	D177	S175-D177 PolarHBondContact O-N 3.13Å
176	D	30.5	Very low	29.7	Very low	145 Å²	145	128.3 Å²	128.3	78%	0.775	68%	0.681	S	S	*	*	S	Bend	trans	14.3	33.1	138	-146.4	31.4	0	0	0	121.2	D174	D174-D176 PolarHBondContact O-N 3.01Å
177	D	30.4	Very low	30	Very low	144 Å²	144	125.2 Å²	125.2	77%	0.77	66%	0.662	S	S	*	*			trans	-131.3	14.5	-173.7	-97.9	-53.4	0	0	0	113	S175	S175-D177 PolarHBondContact O-N 3.13Å
178	E	31.2	Very low	30.3	Very low	173 Å²	173	123.8 Å²	123.8	81%	0.808	65%	0.654	S	S	*	*	S	Bend	trans	-109.1	106	179.5	-92.8	-66	173.1	0	0	113.9
179	T	33.1	Very low	30.7	Very low	82 Å²	82	118.8 Å²	118.8	50%	0.503	64%	0.636	S	S	.	*			trans	67.2	52.9	162.3	-45.5	0	0	0	0	116.4	W181	T179-W181 VanDerWaalsContact C-N 3.35Å; T179-W181 VanDerWaalsContact CG2-CD1 3.48Å; T179-W181 HydrophobicContact CG2-CD2 4.21Å; T179-W181 HydrophobicContact CG2-CG 4.11Å; T179-W181 HydrophobicContact CG2-CZ2 4.22Å; T179-W181 PolarHBondContact O-N 3.27Å; T179-W181 VanDerWaalsContact O-N 3.07Å
180	E	27.8	Very low	31.2	Very low	132 Å²	132	118.1 Å²	118.1	62%	0.617	63%	0.625	S	S	*	*			trans	-68.2	97.9	146.2	-167.4	-158.5	128.5	0	0	108	V182 K578	E180-V182 VanDerWaalsContact C-N 3.26Å; E180-V182 PolarHBondContact O-N 3.31Å; E180-K578 VanDerWaalsContact OE1-CE 3.25Å; E180-K578 WeakPolarHBondContact OE1-CE 3.42Å; E180-K578 IonicContact OE1-NZ 2.72Å; E180-K578 PolarHBondContact OE1-NZ 3.48Å; E180-K578 IonicContact OE2-NZ 2.66Å; E180-K578 PolarHBondContact OE2-NZ 2.95Å
181	W	33	Very low	31.6	Very low	203 Å²	203	116.6 Å²	116.6	77%	0.769	61%	0.609	S	S	*	*			trans	-64.6	92	166.8	-72.3	101.5	0	0	0	108.4	T179 E183	T179-W181 VanDerWaalsContact C-N 3.35Å; T179-W181 VanDerWaalsContact CG2-CD1 3.48Å; T179-W181 HydrophobicContact CG2-CD2 4.21Å; T179-W181 HydrophobicContact CG2-CG 4.11Å; T179-W181 HydrophobicContact CG2-CZ2 4.22Å; T179-W181 PolarHBondContact O-N 3.27Å; T179-W181 VanDerWaalsContact O-N 3.07Å; W181-E183 PolarHBondContact O-N 2.94Å
182	V	30.9	Very low	32	Very low	45 Å²	45	117.1 Å²	117.1	27%	0.273	61%	0.613	S	S	.	*			trans	-57.7	109.5	158.5	178.2	0	0	0	0	106.2	E180 V184	E180-V182 VanDerWaalsContact C-N 3.26Å; E180-V182 PolarHBondContact O-N 3.31Å; V182-V184 VanDerWaalsContact C-N 3.25Å; V182-V184 PolarHBondContact O-N 2.63Å
183	E	32.2	Very low	32.6	Very low	114 Å²	114	114.4 Å²	114.4	53%	0.533	60%	0.598	S	S	.	*			trans	-58.2	95.2	164.5	-81	150.2	-178.8	0	0	106.4	W181 N185 K249	W181-E183 PolarHBondContact O-N 2.94Å; E183-N185 PolarHBondContact O-N 2.95Å; E183-N185 PolarHBondContact O-OD1 3.31Å; E183-K249 IonicContact OE1-NZ 3.67Å; E183-K249 PolarHBondContact OE1-NZ 3.1Å; E183-K249 IonicContact OE2-NZ 2.89Å
184	V	30.5	Very low	33.1	Very low	75 Å²	75	112.5 Å²	112.5	46%	0.455	58%	0.582	S	S	.	*			trans	-69.9	120.3	165.8	174.7	0	0	0	0	104.9	V182 D186	V182-V184 VanDerWaalsContact C-N 3.25Å; V182-V184 PolarHBondContact O-N 2.63Å; V184-D186 PolarHBondContact O-N 2.85Å
185	N	29.5	Very low	33.4	Very low	88 Å²	88	110.2 Å²	110.2	47%	0.471	57%	0.568	S	S	.	*	S	Bend	trans	-64	70.9	177.8	-65.4	41.1	0	0	0	112.4	E183	E183-N185 PolarHBondContact O-N 2.95Å; E183-N185 PolarHBondContact O-OD1 3.31Å
186	D	30.3	Very low	33.9	Very low	115 Å²	115	111.8 Å²	111.8	62%	0.615	56%	0.564	S	S	*	*			trans	-73.8	-8.5	153.4	-72.3	-17.9	0	0	0	109.9	V184 N190	V184-D186 PolarHBondContact O-N 2.85Å; D186-N190 PolarHBondContact O-ND2 2.93Å
187	E	34.4	Very low	34.7	Very low	84 Å²	84	109.1 Å²	109.1	39%	0.393	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-61.5	-42	-178.4	-114.7	136.2	-115	0	0	114.9	T189 N190 E191	E187-T189 PolarHBondContact O-N 2.77Å; E187-N190 PolarHBondContact O-N 3Å; E187-E191 HydrophobicContact CB-CG 4.39Å; E187-E191 HydrophobicContact CG-CG 3.67Å; E187-E191 PolarHBondContact O-N 2.87Å
188	L	33.3	Very low	35.2	Very low	113 Å²	113	106.9 Å²	106.9	59%	0.592	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-64.6	2.7	-166.6	-116.7	154.9	0	0	0	115.4
189	T	36	Very low	35.7	Very low	78 Å²	78	105.1 Å²	105.1	48%	0.479	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-130.9	4.2	175.2	57.1	0	0	0	0	114.6	E187	E187-T189 PolarHBondContact O-N 2.77Å
190	N	39	Very low	36.2	Very low	75 Å²	75	106.9 Å²	106.9	40%	0.401	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-28.7	-170.8	-62.2	-71.7	0	0	0	114.7	D186 E187 F194	D186-N190 PolarHBondContact O-ND2 2.93Å; E187-N190 PolarHBondContact O-N 3Å; N190-F194 PolarHBondContact O-N 2.84Å
191	E	37.7	Very low	36.4	Very low	103 Å²	103	104.5 Å²	104.5	48%	0.481	54%	0.537	S	S	.	.	H	α-helix	trans	-84	-28.5	-169.9	-62.7	-130.7	126.9	0	0	115	E187 D193 F194 M195	E187-E191 HydrophobicContact CB-CG 4.39Å; E187-E191 HydrophobicContact CG-CG 3.67Å; E187-E191 PolarHBondContact O-N 2.87Å; E191-D193 VanDerWaalsContact C-N 3.31Å; E191-D193 PolarHBondContact O-N 3.31Å; E191-F194 PolarHBondContact O-N 3.12Å; E191-M195 PolarHBondContact O-N 2.88Å
192	V	39	Very low	36.6	Very low	122 Å²	122	100.1 Å²	100.1	74%	0.739	54%	0.538	S	S	*	.	H	α-helix	trans	-61.7	-42.1	179.1	-172.3	0	0	0	0	110.8	H196	V192-H196 WeakPolarHBondContact O-CB 3.26Å; V192-H196 PolarHBondContact O-N 3.28Å
193	D	41	Very low	36.7	Very low	87 Å²	87	102.9 Å²	102.9	47%	0.465	56%	0.559	S	S	.	*	H	α-helix	trans	-67.5	-34.6	171.3	-92.1	-6.1	0	0	0	111.8	E191 N197	E191-D193 VanDerWaalsContact C-N 3.31Å; E191-D193 PolarHBondContact O-N 3.31Å; D193-N197 WeakPolarHBondContact O-CB 3.42Å; D193-N197 PolarHBondContact O-N 3.38Å; D193-N197 PolarHBondContact O-ND2 3.35Å
194	F	35.9	Very low	36.7	Very low	124 Å²	124	105 Å²	105	54%	0.544	57%	0.574	S	S	.	*	H	α-helix	trans	-71.1	-51	-177	-170.3	-112.6	0	0	0	112.3	N190 E191 N197 L198	N190-F194 PolarHBondContact O-N 2.84Å; E191-F194 PolarHBondContact O-N 3.12Å; F194-N197 PolarHBondContact O-N 3.38Å; F194-L198 HydrophobicContact CD1-CD1 4.27Å; F194-L198 HydrophobicContact CD2-CD1 4.03Å; F194-L198 HydrophobicContact CE1-CD1 3.88Å; F194-L198 HydrophobicContact CE1-CD2 4.12Å; F194-L198 HydrophobicContact CE2-CD1 3.62Å; F194-L198 HydrophobicContact CG-CD1 4.34Å; F194-L198 HydrophobicContact CZ-CD1 3.54Å; F194-L198 HydrophobicContact CZ-CD2 4.33Å; F194-L198 PolarHBondContact O-N 2.9Å
195	M	35.8	Very low	36.7	Very low	120 Å²	120	107.3 Å²	107.3	59%	0.591	59%	0.589	S	S	*	*	H	α-helix	trans	-65	-40.2	175.8	-83.9	-169	64	0	0	112.3	E191 N197 L198 L199	E191-M195 PolarHBondContact O-N 2.88Å; M195-N197 VanDerWaalsContact C-N 3.26Å; M195-N197 PolarHBondContact O-N 2.99Å; M195-L198 PolarHBondContact O-N 3.4Å; M195-L199 HydrophobicContact CE-CD1 4.44Å; M195-L199 WeakPolarHBondContact O-CB 3.38Å; M195-L199 VanDerWaalsContact O-CG 3.3Å; M195-L199 WeakPolarHBondContact O-CG 3.05Å; M195-L199 PolarHBondContact O-N 3.35Å
196	H	40.2	Very low	36.9	Very low	125 Å²	125	109.7 Å²	109.7	58%	0.579	61%	0.606	S	S	*	*	H	α-helix	trans	-65.1	-29.7	177.2	-168.3	-64.1	0	0	0	112.3	V192 N200	V192-H196 WeakPolarHBondContact O-CB 3.26Å; V192-H196 PolarHBondContact O-N 3.28Å; H196-N200 PolarHBondContact O-ND2 3.06Å
197	N	46.7	Very low	37	Very low	89 Å²	89	110 Å²	110	48%	0.476	61%	0.614	S	S	.	*	H	α-helix	trans	-81.7	-36.4	173.7	-75.4	-60.8	0	0	0	112.9	D193 F194 M195 N200 S201	D193-N197 WeakPolarHBondContact O-CB 3.42Å; D193-N197 PolarHBondContact O-N 3.38Å; D193-N197 PolarHBondContact O-ND2 3.35Å; F194-N197 PolarHBondContact O-N 3.38Å; M195-N197 VanDerWaalsContact C-N 3.26Å; M195-N197 PolarHBondContact O-N 2.99Å; N197-N200 CarbonylContact O-C 3.03Å; N197-N200 PolarHBondContact O-N 3.34Å; N197-S201 WeakPolarHBondContact O-CB 3.32Å; N197-S201 PolarHBondContact O-N 3.28Å; N197-S201 VanDerWaalsContact O-N 3.09Å; N197-S201 PolarHBondContact O-OG 3.31Å
198	L	40.9	Very low	36.7	Very low	98 Å²	98	111.8 Å²	111.8	51%	0.513	64%	0.635	S	S	.	*	H	α-helix	trans	-62.6	-44.5	174.3	-106	71.8	0	0	0	112.1	F194 M195 N200 S201	F194-L198 HydrophobicContact CD1-CD1 4.27Å; F194-L198 HydrophobicContact CD2-CD1 4.03Å; F194-L198 HydrophobicContact CE1-CD1 3.88Å; F194-L198 HydrophobicContact CE1-CD2 4.12Å; F194-L198 HydrophobicContact CE2-CD1 3.62Å; F194-L198 HydrophobicContact CG-CD1 4.34Å; F194-L198 HydrophobicContact CZ-CD1 3.54Å; F194-L198 HydrophobicContact CZ-CD2 4.33Å; F194-L198 PolarHBondContact O-N 2.9Å; M195-L198 PolarHBondContact O-N 3.4Å; L198-N200 PolarHBondContact O-N 2.96Å; L198-N200 VanDerWaalsContact O-N 3.1Å; L198-S201 PolarHBondContact O-N 2.98Å
199	L	41.5	Very low	36.7	Very low	136 Å²	136	114.9 Å²	114.9	71%	0.712	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-11.7	177.6	-69.2	169.1	0	0	0	113.5	M195	M195-L199 HydrophobicContact CE-CD1 4.44Å; M195-L199 WeakPolarHBondContact O-CB 3.38Å; M195-L199 VanDerWaalsContact O-CG 3.3Å; M195-L199 WeakPolarHBondContact O-CG 3.05Å; M195-L199 PolarHBondContact O-N 3.35Å
200	N	44.4	Very low	36.6	Very low	118 Å²	118	118.8 Å²	118.8	63%	0.631	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	3.6	174.2	-74.6	-75.6	0	0	0	113.6	H196 N197 L198	H196-N200 PolarHBondContact O-ND2 3.06Å; N197-N200 CarbonylContact O-C 3.03Å; N197-N200 PolarHBondContact O-N 3.34Å; L198-N200 PolarHBondContact O-N 2.96Å; L198-N200 VanDerWaalsContact O-N 3.1Å
201	S	33.1	Very low	36.3	Very low	82 Å²	82	119 Å²	119	57%	0.573	68%	0.684	S	S	*	*			trans	-140.1	93.9	-171.8	-51.9	0	0	0	0	112.6	N197 L198	N197-S201 WeakPolarHBondContact O-CB 3.32Å; N197-S201 PolarHBondContact O-N 3.28Å; N197-S201 VanDerWaalsContact O-N 3.09Å; N197-S201 PolarHBondContact O-OG 3.31Å; L198-S201 PolarHBondContact O-N 2.98Å
202	S	35.2	Very low	36.1	Very low	111 Å²	111	122.5 Å²	122.5	78%	0.776	70%	0.701	S	S	*	*			trans	-148.5	146.9	171.2	-171	0	0	0	0	112.5
203	S	33.7	Very low	36.1	Very low	104 Å²	104	126.8 Å²	126.8	73%	0.727	71%	0.709	S	S	*	*			trans	63.9	138.4	-176.9	74.5	0	0	0	0	115.4
204	N	32.3	Very low	35.9	Very low	157 Å²	157	131.9 Å²	131.9	84%	0.84	73%	0.727	S	S	*	*			cis	-145.9	168	1.5	-105	-13.9	0	0	0	112.1
205	T	31.3	Very low	36.1	Very low	125 Å²	125	131.8 Å²	131.8	77%	0.767	74%	0.739	S	S	*	*			trans	-123.7	145.2	-171	44.6	0	0	0	0	114.1
206	V	32.7	Very low	36.2	Very low	137 Å²	137	131 Å²	131	83%	0.83	75%	0.752	S	S	*	*			trans	70.5	161	150.1	166.2	0	0	0	0	114.8
207	P	32.9	Very low	35.9	Very low	121 Å²	121	130.4 Å²	130.4	79%	0.786	76%	0.761	S	S	*	*			cis	-118	-171.5	0.5	17.5	8.4	0	0	0	116.4
208	C	28.3	Very low	35.4	Very low	122 Å²	122	133.7 Å²	133.7	82%	0.824	78%	0.778	S	S	*	*			trans	-88.3	167.1	176.8	-53.9	0	0	0	0	113.9
209	E	33.9	Very low	35.1	Very low	178 Å²	178	135.3 Å²	135.3	83%	0.832	79%	0.792	S	S	*	*				-171.8	147.5	111.6	-103.2	179.1	-174	0	0	115.1
210	D	32.4	Very low	35.1	Very low	160 Å²	160	134.2 Å²	134.2	86%	0.856	79%	0.791	S	S	*	*			trans	39.2	144.2	154.3	-69	2.3	0	0	0	126
211	G	34.1	Very low	34.8	Very low	80 Å²	80	132.8 Å²	132.8	83%	0.825	80%	0.796	S	S	*	*			trans	165.5	64.4	174.6	0	0	0	0	0	117.2
212	E	33.3	Very low	35.3	Very low	177 Å²	177	135.1 Å²	135.1	83%	0.827	80%	0.801	S	S	*	*			trans	-38.7	140.4	-172.1	-55.9	-168.3	116.9	0	0	120.7
213	K	37.7	Very low	35.4	Very low	212 Å²	212	134.9 Å²	134.9	92%	0.922	80%	0.796	S	S	*	*				-167.7	148.7	117	-100.6	148.3	-168.9	167.6	0	114.3
214	K	37.5	Very low	35.3	Very low	194 Å²	194	139.8 Å²	139.8	84%	0.843	81%	0.805	S	S	*	*			trans	-126	175.5	-172.9	-82.2	177.3	-179.2	164.8	0	110.3
215	P	41.1	Very low	35.5	Very low	121 Å²	121	139.4 Å²	139.4	79%	0.786	80%	0.803	S	S	*	*			cis	-136.3	176.9	-42.5	38.7	-23.4	0	0	0	112.8
216	A	37	Very low	35.4	Very low	104 Å²	104	138.7 Å²	138.7	86%	0.86	80%	0.803	S	S	*	*			trans	-146.1	125.3	152.8	0	0	0	0	0	109.6
217	S	33	Very low	35.5	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	81%	0.805	S	S	*	*			trans	-92.6	134.5	-170.7	47.5	0	0	0	0	113.2
218	L	37.7	Very low	35.4	Very low	159 Å²	159	139.2 Å²	139.2	83%	0.832	81%	0.807	S	S	*	*			trans	-133.8	84	166.9	-158.3	85.8	0	0	0	110.2	V220	L218-V220 PolarHBondContact O-N 3.12Å; L218-V220 VanDerWaalsContact O-N 3.14Å
219	T	34.4	Very low	35.9	Very low	131 Å²	131	141.5 Å²	141.5	80%	0.804	80%	0.803	S	S	*	*			trans	-76.2	98.8	-177.4	-52.4	0	0	0	0	111.1	A221	T219-A221 PolarHBondContact O-N 3.12Å
220	V	41.2	Very low	35.9	Very low	113 Å²	113	143.1 Å²	143.1	69%	0.685	81%	0.807	S	S	*	*			trans	-91.4	95.7	169.2	-177.7	0	0	0	0	108.9	L218 I222	L218-V220 PolarHBondContact O-N 3.12Å; L218-V220 VanDerWaalsContact O-N 3.14Å; V220-I222 HydrophobicContact CG1-CG1 4.37Å; V220-I222 PolarHBondContact O-N 3.07Å
221	A	37.4	Very low	36.2	Very low	89 Å²	89	146.6 Å²	146.6	74%	0.736	81%	0.809	S	S	*	*			trans	-74	111.7	172.2	0	0	0	0	0	110	T219	T219-A221 PolarHBondContact O-N 3.12Å
222	I	43.6	Very low	36.7	Very low	131 Å²	131	146.9 Å²	146.9	67%	0.672	80%	0.798	S	S	*	*			trans	-90.8	123.9	171.2	-58.1	176.6	0	0	0	107.9	V220 F224	V220-I222 HydrophobicContact CG1-CG1 4.37Å; V220-I222 PolarHBondContact O-N 3.07Å; I222-F224 PolarHBondContact O-N 3.22Å
223	P	37.4	Very low	37.5	Very low	106 Å²	106	148.3 Å²	148.3	69%	0.688	80%	0.801	S	S	*	*			trans	-62.5	121.1	175.1	-22.6	34	0	0	0	111.6	D225	P223-D225 PolarHBondContact O-N 3.07Å
224	F	32.3	Very low	38.6	Very low	207 Å²	207	143.4 Å²	143.4	91%	0.908	78%	0.782	S	S	*	*			trans	-80.3	68.2	169.1	-95.5	-88.6	0	0	0	110.3	I222	I222-F224 PolarHBondContact O-N 3.22Å
225	D	36.2	Very low	40.3	Very low	149 Å²	149	139.5 Å²	139.5	80%	0.797	77%	0.77	S	S	*	*			trans	-68.7	138.3	173.6	-106.6	-37.6	0	0	0	111.4	P223 L227	P223-D225 PolarHBondContact O-N 3.07Å; D225-L227 PolarHBondContact O-N 3.41Å
226	S	28.8	Very low	42.3	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	77%	0.765	S	S	*	*			trans	-91.9	87.1	-151.5	55.3	0	0	0	0	114.7
227	L	35.6	Very low	44.5	Very low	169 Å²	169	138.4 Å²	138.4	89%	0.885	74%	0.744	S	S	*	*			trans	-109.6	79.7	159.5	-74.4	177.3	0	0	0	111.2	D225 K229	D225-L227 PolarHBondContact O-N 3.41Å; L227-K229 VanDerWaalsContact C-N 3.32Å; L227-K229 PolarHBondContact O-N 2.98Å
228	A	30.6	Very low	46.8	Very low	100 Å²	100	137.1 Å²	137.1	83%	0.826	73%	0.728	S	S	*	*			trans	-67.1	82.6	178.4	0	0	0	0	0	112	K230	A228-K230 PolarHBondContact O-N 2.89Å; A228-K230 VanDerWaalsContact O-N 3.11Å
229	K	39.5	Very low	48.8	Very low	170 Å²	170	134.6 Å²	134.6	74%	0.739	72%	0.715	S	S	*	*			trans	-53.7	117.6	160.9	-76.8	178.5	178	170.9	0	108	L227 R231	L227-K229 VanDerWaalsContact C-N 3.32Å; L227-K229 PolarHBondContact O-N 2.98Å; K229-R231 PolarHBondContact O-N 3.32Å
230	K	33.5	Very low	51.2	Low	212 Å²	212	134 Å²	134	92%	0.922	70%	0.703	S	S	*	*			trans	-56.2	101.4	169.7	-67.6	179	179.7	177.8	0	108.2	A228	A228-K230 PolarHBondContact O-N 2.89Å; A228-K230 VanDerWaalsContact O-N 3.11Å
231	R	37.4	Very low	53.2	Low	234 Å²	234	131.3 Å²	131.3	88%	0.883	69%	0.685	S	S	*	*			trans	-58.6	145.1	158.7	-74.3	-176.3	171.6	-174.6	-3.5	107.2	K229 K233	K229-R231 PolarHBondContact O-N 3.32Å; R231-K233 PolarHBondContact O-N 3.19Å
232	S	46.1	Very low	55.3	Low	85 Å²	85	130.7 Å²	130.7	59%	0.594	67%	0.668	S	S	*	*			trans	-52.3	125.3	172.7	-175.8	0	0	0	0	108.9	Q234	S232-Q234 PolarHBondContact O-N 3.24Å; S232-Q234 VanDerWaalsContact O-N 3.08Å; S232-Q234 WeakPolarHBondContact OG-CG 3.42Å; S232-Q234 PolarHBondContact OG-OE1 3.47Å
233	K	50	Low	57.3	Low	208 Å²	208	126.8 Å²	126.8	90%	0.904	66%	0.656	S	S	*	*			trans	-81.8	52.6	169.1	-79.4	-165.9	169.5	-163.6	0	109.7	R231	R231-K233 PolarHBondContact O-N 3.19Å
234	Q	59.8	Low	59.6	Low	108 Å²	108	125.6 Å²	125.6	51%	0.505	64%	0.643	S	S	.	*			trans	-81.1	120.1	161.2	-81.2	162	-54.1	0	0	106.4	S232	S232-Q234 PolarHBondContact O-N 3.24Å; S232-Q234 VanDerWaalsContact O-N 3.08Å; S232-Q234 WeakPolarHBondContact OG-CG 3.42Å; S232-Q234 PolarHBondContact OG-OE1 3.47Å
235	D	73.2	Confident	62.1	Low	112 Å²	112	121.2 Å²	121.2	60%	0.599	62%	0.624	S	S	*	*			trans	-59.5	141.6	178.3	-73	-47.3	0	0	0	110	K237 L238 L239	D235-K237 PolarHBondContact O-N 3.28Å; D235-L238 HydrophobicContact CB-CB 4.36Å; D235-L238 WeakPolarHBondContact O-CA 3.28Å; D235-L238 WeakPolarHBondContact O-CB 3.47Å; D235-L238 PolarHBondContact O-N 3.26Å; D235-L239 PolarHBondContact O-N 2.89Å; D235-L239 VanDerWaalsContact O-N 3.07Å
236	P	83.5	Confident	64.5	Low	105 Å²	105	121.6 Å²	121.6	68%	0.682	61%	0.614	S	S	*	*	H	α-helix	trans	-57.7	-39.9	-177.1	22	-32.3	0	0	0	111.5	L238 L239 E240	P236-L238 VanDerWaalsContact C-N 3.29Å; P236-L238 PolarHBondContact O-N 3.15Å; P236-L239 WeakPolarHBondContact O-CB 3.39Å; P236-L239 PolarHBondContact O-N 3.05Å; P236-L239 VanDerWaalsContact O-N 3.15Å; P236-E240 VanDerWaalsContact O-CB 3.29Å; P236-E240 WeakPolarHBondContact O-CB 3.48Å; P236-E240 PolarHBondContact O-N 3Å
237	K	83.8	Confident	67.3	Low	98 Å²	98	122.8 Å²	122.8	43%	0.426	61%	0.605	S	S	.	*	H	α-helix	trans	-62.8	-30.1	174.9	-172.7	171	179.3	179.5	0	113.4	D235 L241 T395	D235-K237 PolarHBondContact O-N 3.28Å; K237-L241 HydrophobicContact CG-CD1 4.28Å; K237-L241 WeakPolarHBondContact O-CB 3.39Å; K237-L241 WeakPolarHBondContact O-CD1 3.02Å; K237-L241 WeakPolarHBondContact O-CG 3.37Å; K237-L241 PolarHBondContact O-N 3.43Å; K237-T395 VanDerWaalsContact NZ-CB 3.34Å; K237-T395 PolarHBondContact NZ-OG1 2.9Å
238	L	81.7	Confident	69.8	Low	85 Å²	85	116.2 Å²	116.2	45%	0.445	57%	0.571	S	S	.	*	H	α-helix	trans	-73.8	-40.6	173.8	179	61.8	0	0	0	111.1	D235 P236 E240 L241 L242	D235-L238 HydrophobicContact CB-CB 4.36Å; D235-L238 WeakPolarHBondContact O-CA 3.28Å; D235-L238 WeakPolarHBondContact O-CB 3.47Å; D235-L238 PolarHBondContact O-N 3.26Å; P236-L238 VanDerWaalsContact C-N 3.29Å; P236-L238 PolarHBondContact O-N 3.15Å; L238-E240 VanDerWaalsContact C-N 3.33Å; L238-L241 PolarHBondContact O-N 3.32Å; L238-L242 HydrophobicContact CD1-CD1 4.39Å; L238-L242 HydrophobicContact CD1-CG 4.44Å; L238-L242 HydrophobicContact CG-CD1 4.2Å; L238-L242 WeakPolarHBondContact O-CB 3.24Å; L238-L242 VanDerWaalsContact O-CG 3.25Å; L238-L242 WeakPolarHBondContact O-CG 3.5Å; L238-L242 PolarHBondContact O-N 2.95Å
239	L	79.7	Confident	72.5	Confident	106 Å²	106	116.3 Å²	116.3	56%	0.555	55%	0.553	S	S	*	*	H	α-helix	trans	-64	-40.5	175.9	-164.4	77	0	0	0	111.6	D235 P236 L242 A243	D235-L239 PolarHBondContact O-N 2.89Å; D235-L239 VanDerWaalsContact O-N 3.07Å; P236-L239 WeakPolarHBondContact O-CB 3.39Å; P236-L239 PolarHBondContact O-N 3.05Å; P236-L239 VanDerWaalsContact O-N 3.15Å; L239-L242 PolarHBondContact O-N 2.91Å; L239-A243 WeakPolarHBondContact O-CB 3.4Å; L239-A243 PolarHBondContact O-N 3.15Å
240	E	83.8	Confident	74.9	Confident	117 Å²	117	113.3 Å²	113.3	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-61.8	-50.9	173.8	179.2	178.8	-146.5	0	0	112	P236 L238 L242 A243 L244	P236-E240 VanDerWaalsContact O-CB 3.29Å; P236-E240 WeakPolarHBondContact O-CB 3.48Å; P236-E240 PolarHBondContact O-N 3Å; L238-E240 VanDerWaalsContact C-N 3.33Å; E240-L242 VanDerWaalsContact C-N 3.28Å; E240-L242 PolarHBondContact O-N 2.68Å; E240-A243 WeakPolarHBondContact O-CB 3.36Å; E240-A243 PolarHBondContact O-N 3.09Å; E240-L244 WeakPolarHBondContact O-CG 3.15Å; E240-L244 PolarHBondContact O-N 3.44Å
241	L	82.4	Confident	77.5	Confident	58 Å²	58	107.5 Å²	107.5	30%	0.304	52%	0.517	S	S	.	.	H	α-helix	trans	-60.3	-35.7	174.4	-75.2	169	0	0	0	112.7	K237 L238 K245	K237-L241 HydrophobicContact CG-CD1 4.28Å; K237-L241 WeakPolarHBondContact O-CB 3.39Å; K237-L241 WeakPolarHBondContact O-CD1 3.02Å; K237-L241 WeakPolarHBondContact O-CG 3.37Å; K237-L241 PolarHBondContact O-N 3.43Å; L238-L241 PolarHBondContact O-N 3.32Å; L241-K245 WeakPolarHBondContact O-CB 3.2Å; L241-K245 WeakPolarHBondContact O-CG 3.49Å; L241-K245 PolarHBondContact O-N 3.17Å
242	L	82.9	Confident	80.1	Confident	75 Å²	75	98.7 Å²	98.7	39%	0.393	48%	0.484	S	S	.	.	H	α-helix	trans	-70	-34.1	173.8	-72.2	169.4	0	0	0	112.4	L238 L239 E240 R246	L238-L242 HydrophobicContact CD1-CD1 4.39Å; L238-L242 HydrophobicContact CD1-CG 4.44Å; L238-L242 HydrophobicContact CG-CD1 4.2Å; L238-L242 WeakPolarHBondContact O-CB 3.24Å; L238-L242 VanDerWaalsContact O-CG 3.25Å; L238-L242 WeakPolarHBondContact O-CG 3.5Å; L238-L242 PolarHBondContact O-N 2.95Å; L239-L242 PolarHBondContact O-N 2.91Å; E240-L242 VanDerWaalsContact C-N 3.28Å; E240-L242 PolarHBondContact O-N 2.68Å; L242-R246 WeakPolarHBondContact O-CG 3.48Å; L242-R246 PolarHBondContact O-N 3.32Å; L242-R246 VanDerWaalsContact O-N 3.12Å
243	A	84.6	Confident	82.2	Confident	49 Å²	49	96.6 Å²	96.6	41%	0.405	47%	0.468	S	S	.	.	H	α-helix	trans	-69.5	-40.8	173.6	0	0	0	0	0	112	L239 E240 R246 K247	L239-A243 WeakPolarHBondContact O-CB 3.4Å; L239-A243 PolarHBondContact O-N 3.15Å; E240-A243 WeakPolarHBondContact O-CB 3.36Å; E240-A243 PolarHBondContact O-N 3.09Å; A243-R246 PolarHBondContact O-N 3.46Å; A243-K247 PolarHBondContact O-N 3.42Å
244	L	85.9	Confident	84.2	Confident	81 Å²	81	91.9 Å²	91.9	42%	0.424	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-43.9	173.2	-69.5	173.1	0	0	0	111.6	E240 R246 K247 L248	E240-L244 WeakPolarHBondContact O-CG 3.15Å; E240-L244 PolarHBondContact O-N 3.44Å; L244-R246 VanDerWaalsContact C-N 3.27Å; L244-R246 PolarHBondContact O-N 3.21Å; L244-K247 PolarHBondContact O-N 3.18Å; L244-L248 WeakPolarHBondContact O-CB 3.29Å; L244-L248 PolarHBondContact O-N 3.49Å
245	K	85.3	Confident	85.8	Confident	116 Å²	116	90.4 Å²	90.4	50%	0.504	45%	0.446	S	S	.	.	H	α-helix	trans	-60.9	-32.7	174	-79	-171.2	173.1	-165.9	0	113.3	L241 K249	L241-K245 WeakPolarHBondContact O-CB 3.2Å; L241-K245 WeakPolarHBondContact O-CG 3.49Å; L241-K245 PolarHBondContact O-N 3.17Å; K245-K249 PolarHBondContact O-N 2.96Å
246	R	85.5	Confident	86.8	Confident	157 Å²	157	85 Å²	85	59%	0.592	42%	0.418	S	S	*	.	H	α-helix	trans	-69.5	-53.2	174	-76.9	175.2	-179.5	170.3	-1.4	112.1	L242 A243 L244 L248 K249 E250	L242-R246 WeakPolarHBondContact O-CG 3.48Å; L242-R246 PolarHBondContact O-N 3.32Å; L242-R246 VanDerWaalsContact O-N 3.12Å; A243-R246 PolarHBondContact O-N 3.46Å; L244-R246 VanDerWaalsContact C-N 3.27Å; L244-R246 PolarHBondContact O-N 3.21Å; R246-L248 PolarHBondContact O-N 3.45Å; R246-L248 VanDerWaalsContact O-N 3.13Å; R246-K249 PolarHBondContact O-N 3.08Å; R246-E250 VanDerWaalsContact O-CG 3.31Å; R246-E250 WeakPolarHBondContact O-CG 3.2Å; R246-E250 PolarHBondContact O-N 3.25Å
247	K	88.6	Confident	87.2	Confident	133 Å²	133	80.3 Å²	80.3	58%	0.578	39%	0.387	S	S	*	.	H	α-helix	trans	-50.6	-39	173	-74.5	-172.7	173.1	-172.1	0	112	A243 L244 H251	A243-K247 PolarHBondContact O-N 3.42Å; L244-K247 PolarHBondContact O-N 3.18Å; K247-H251 VanDerWaalsContact O-CB 3.32Å; K247-H251 WeakPolarHBondContact O-CB 3.27Å; K247-H251 PolarHBondContact O-N 2.79Å
248	L	88.2	Confident	87.8	Confident	31 Å²	31	79.8 Å²	79.8	16%	0.162	39%	0.392	C	S	.	.	H	α-helix	trans	-68	-45.9	176.3	-167.1	72.4	0	0	0	112.9	L244 R246 E250 H251 Y252 P383 T388 L391	L244-L248 WeakPolarHBondContact O-CB 3.29Å; L244-L248 PolarHBondContact O-N 3.49Å; R246-L248 PolarHBondContact O-N 3.45Å; R246-L248 VanDerWaalsContact O-N 3.13Å; L248-E250 VanDerWaalsContact C-N 3.32Å; L248-E250 PolarHBondContact O-N 3.13Å; L248-H251 PolarHBondContact O-N 3.28Å; L248-Y252 HydrophobicContact CD1-CD2 4.14Å; L248-Y252 HydrophobicContact CD1-CE2 3.83Å; L248-Y252 HydrophobicContact CG-CD2 4.2Å; L248-Y252 HydrophobicContact CG-CE2 4.21Å; L248-Y252 WeakPolarHBondContact O-CD2 3.44Å; L248-Y252 PolarHBondContact O-N 2.81Å; L248-P383 HydrophobicContact CD2-CB 4.04Å; L248-P383 HydrophobicContact CD2-CG 3.68Å; L248-P383 HydrophobicContact CG-CB 4.4Å; L248-P383 HydrophobicContact CG-CG 4.06Å; L248-T388 HydrophobicContact CD2-CG2 4.1Å; L248-L391 HydrophobicContact CD1-CD1 4.34Å; L248-L391 HydrophobicContact CD2-CD1 3.52Å
249	K	86.6	Confident	88.3	Confident	102 Å²	102	77.5 Å²	77.5	44%	0.443	38%	0.379	S	S	.	.	H	α-helix	trans	-58.3	-45.5	173.3	-175.2	-163.8	173.5	-168.4	0	110.5	E183 K245 R246 T253	E183-K249 IonicContact OE1-NZ 3.67Å; E183-K249 PolarHBondContact OE1-NZ 3.1Å; E183-K249 IonicContact OE2-NZ 2.89Å; K245-K249 PolarHBondContact O-N 2.96Å; R246-K249 PolarHBondContact O-N 3.08Å; K249-T253 VanDerWaalsContact O-CB 3.28Å; K249-T253 WeakPolarHBondContact O-CB 3.28Å; K249-T253 PolarHBondContact O-N 3.22Å; K249-T253 PolarHBondContact O-OG1 2.88Å
250	E	89.5	Confident	89.1	Confident	108 Å²	108	72.5 Å²	72.5	51%	0.505	35%	0.353	S	S	.	.	H	α-helix	trans	-59.5	-48.7	178	-69.5	153.6	-150.7	0	0	110.8	R246 L248 T253 L254	R246-E250 VanDerWaalsContact O-CG 3.31Å; R246-E250 WeakPolarHBondContact O-CG 3.2Å; R246-E250 PolarHBondContact O-N 3.25Å; L248-E250 VanDerWaalsContact C-N 3.32Å; L248-E250 PolarHBondContact O-N 3.13Å; E250-T253 PolarHBondContact O-N 3.42Å; E250-L254 WeakPolarHBondContact O-CG 3.32Å; E250-L254 PolarHBondContact O-N 3.32Å
251	H	90	Very high	89.6	Confident	89 Å²	89	69.7 Å²	69.7	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-49.6	178.3	-172.3	85.3	0	0	0	112.7	K247 L248 T253 L254 M255	K247-H251 VanDerWaalsContact O-CB 3.32Å; K247-H251 WeakPolarHBondContact O-CB 3.27Å; K247-H251 PolarHBondContact O-N 2.79Å; L248-H251 PolarHBondContact O-N 3.28Å; H251-T253 VanDerWaalsContact C-N 3.32Å; H251-T253 PolarHBondContact O-N 3.31Å; H251-L254 WeakPolarHBondContact O-CB 3.36Å; H251-L254 PolarHBondContact O-N 3.24Å; H251-L254 VanDerWaalsContact O-N 3.14Å; H251-M255 VanDerWaalsContact CD2-SD 3.5Å; H251-M255 PolarHBondContact NE2-SD 2.95Å; H251-M255 WeakPolarHBondContact O-CG 3.43Å; H251-M255 PolarHBondContact O-N 3.07Å
252	Y	90.5	Very high	90.2	Very high	49 Å²	49	70.5 Å²	70.5	19%	0.192	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-38	176.5	-87.3	-105.6	0	0	0	112.3	L248 L254 M255 H256 L381 P383	L248-Y252 HydrophobicContact CD1-CD2 4.14Å; L248-Y252 HydrophobicContact CD1-CE2 3.83Å; L248-Y252 HydrophobicContact CG-CD2 4.2Å; L248-Y252 HydrophobicContact CG-CE2 4.21Å; L248-Y252 WeakPolarHBondContact O-CD2 3.44Å; L248-Y252 PolarHBondContact O-N 2.81Å; Y252-L254 VanDerWaalsContact C-N 3.3Å; Y252-L254 PolarHBondContact O-N 2.79Å; Y252-M255 PolarHBondContact O-N 3.48Å; Y252-H256 WeakPolarHBondContact O-CB 3.48Å; Y252-H256 PolarHBondContact O-N 3.48Å; Y252-L381 WeakPolarHBondContact CB-O 3.35Å; Y252-P383 HydrophobicContact CD1-CB 4.43Å; Y252-P383 HydrophobicContact CD2-CB 4.17Å; Y252-P383 HydrophobicContact CE1-CB 4.07Å; Y252-P383 HydrophobicContact CE2-CB 3.78Å; Y252-P383 HydrophobicContact CG-CB 4.48Å
253	T	90.7	Very high	90.7	Very high	41 Å²	41	67.8 Å²	67.8	25%	0.252	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-37.1	175	-58.5	0	0	0	0	111.6	K249 E250 H251 S257 L381	K249-T253 VanDerWaalsContact O-CB 3.28Å; K249-T253 WeakPolarHBondContact O-CB 3.28Å; K249-T253 PolarHBondContact O-N 3.22Å; K249-T253 PolarHBondContact O-OG1 2.88Å; E250-T253 PolarHBondContact O-N 3.42Å; H251-T253 VanDerWaalsContact C-N 3.32Å; H251-T253 PolarHBondContact O-N 3.31Å; T253-S257 WeakPolarHBondContact O-CB 3.12Å; T253-S257 PolarHBondContact O-N 3.34Å; T253-S257 PolarHBondContact O-OG 3.09Å; T253-L381 HydrophobicContact CG2-CD2 4.32Å
254	L	92.3	Very high	91.3	Very high	109 Å²	109	65.5 Å²	65.5	57%	0.571	32%	0.317	S	S	*	.	H	α-helix	trans	-70.4	-46.8	173.7	-70.8	169.9	0	0	0	111.9	E250 H251 Y252 H256 S257 V258	E250-L254 WeakPolarHBondContact O-CG 3.32Å; E250-L254 PolarHBondContact O-N 3.32Å; H251-L254 WeakPolarHBondContact O-CB 3.36Å; H251-L254 PolarHBondContact O-N 3.24Å; H251-L254 VanDerWaalsContact O-N 3.14Å; Y252-L254 VanDerWaalsContact C-N 3.3Å; Y252-L254 PolarHBondContact O-N 2.79Å; L254-H256 PolarHBondContact O-N 3.01Å; L254-S257 WeakPolarHBondContact O-CA 3.19Å; L254-S257 WeakPolarHBondContact O-CB 3.41Å; L254-S257 PolarHBondContact O-N 3.42Å; L254-S257 VanDerWaalsContact O-N 3.09Å; L254-V258 WeakPolarHBondContact O-CG2 3.24Å; L254-V258 PolarHBondContact O-N 3.36Å
255	M	92.6	Very high	91.7	Very high	77 Å²	77	64 Å²	64	38%	0.379	32%	0.316	S	S	.	.	H	α-helix	trans	-55.9	-49.8	176.2	-69.8	179.5	80.7	0	0	111.7	H251 Y252 S257 V258 H259 I379	H251-M255 VanDerWaalsContact CD2-SD 3.5Å; H251-M255 PolarHBondContact NE2-SD 2.95Å; H251-M255 WeakPolarHBondContact O-CG 3.43Å; H251-M255 PolarHBondContact O-N 3.07Å; Y252-M255 PolarHBondContact O-N 3.48Å; M255-S257 VanDerWaalsContact C-N 3.32Å; M255-S257 PolarHBondContact O-N 2.94Å; M255-V258 PolarHBondContact O-N 3Å; M255-H259 WeakPolarHBondContact O-CB 3.44Å; M255-H259 PolarHBondContact O-N 2.79Å; M255-I379 HydrophobicContact CE-CD1 4.45Å
256	H	93.7	Very high	92	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-42.4	174.9	-180	108.7	0	0	0	111.6	Y252 L254 V258 H259 V260 P378 I379 L381 Y473	Y252-H256 WeakPolarHBondContact O-CB 3.48Å; Y252-H256 PolarHBondContact O-N 3.48Å; L254-H256 PolarHBondContact O-N 3.01Å; H256-V258 PolarHBondContact O-N 2.79Å; H256-H259 PolarHBondContact O-N 2.89Å; H256-V260 WeakPolarHBondContact O-CB 3.41Å; H256-V260 VanDerWaalsContact O-CG2 3.3Å; H256-V260 WeakPolarHBondContact O-CG2 3.37Å; H256-V260 PolarHBondContact O-N 3.06Å; H256-P378 VanDerWaalsContact CE1-CG 3.43Å; H256-P378 WeakPolarHBondContact CE1-CG 3.44Å; H256-I379 PolarHBondContact ND1-O 3.16Å; H256-L381 HydrophobicContact CB-CD2 3.8Å; H256-L381 HydrophobicContact CB-CG 4.42Å; H256-L381 VanDerWaalsContact CD2-CD2 3.48Å; H256-L381 WeakPolarHBondContact CD2-CD2 3.33Å; H256-Y473 AromaticContact CE1-CE2 3.99Å; H256-Y473 AromaticContact NE2-CE2 3.64Å; H256-Y473 AromaticContact NE2-CZ 3.61Å; H256-Y473 PolarHBondContact NE2-OH 2.96Å
257	S	93.9	Very high	92.4	Very high	6 Å²	6	54 Å²	54	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-42.7	176.9	-61.7	0	0	0	0	112.5	T253 L254 M255 L261 K519	T253-S257 WeakPolarHBondContact O-CB 3.12Å; T253-S257 PolarHBondContact O-N 3.34Å; T253-S257 PolarHBondContact O-OG 3.09Å; L254-S257 WeakPolarHBondContact O-CA 3.19Å; L254-S257 WeakPolarHBondContact O-CB 3.41Å; L254-S257 PolarHBondContact O-N 3.42Å; L254-S257 VanDerWaalsContact O-N 3.09Å; M255-S257 VanDerWaalsContact C-N 3.32Å; M255-S257 PolarHBondContact O-N 2.94Å; S257-L261 WeakPolarHBondContact O-CG 3.42Å; S257-L261 PolarHBondContact O-N 3.18Å; S257-L261 VanDerWaalsContact O-N 3.16Å; S257-K519 PolarHBondContact OG-NZ 2.94Å
258	V	94.8	Very high	92.7	Very high	87 Å²	87	50.5 Å²	50.5	53%	0.527	26%	0.261	S	S	.	.	H	α-helix	trans	-66.9	-45.4	176.4	173.4	0	0	0	0	110.7	L254 M255 H256 V260 L261 C262	L254-V258 WeakPolarHBondContact O-CG2 3.24Å; L254-V258 PolarHBondContact O-N 3.36Å; M255-V258 PolarHBondContact O-N 3Å; H256-V258 PolarHBondContact O-N 2.79Å; V258-V260 VanDerWaalsContact C-N 3.33Å; V258-V260 PolarHBondContact O-N 3.48Å; V258-L261 PolarHBondContact O-N 3.31Å; V258-L261 VanDerWaalsContact O-N 3.08Å; V258-C262 PolarHBondContact O-N 2.97Å; V258-C262 PolarHBondContact O-SG 3.03Å; V258-C262 VanDerWaalsContact O-SG 3.36Å
259	H	93.9	Very high	93	Very high	37 Å²	37	52.5 Å²	52.5	17%	0.171	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-44.6	178.7	-153	137.3	0	0	0	111.6	M255 H256 L261 C262 F263 P378 I379 S434	M255-H259 WeakPolarHBondContact O-CB 3.44Å; M255-H259 PolarHBondContact O-N 2.79Å; H256-H259 PolarHBondContact O-N 2.89Å; H259-L261 PolarHBondContact O-N 2.97Å; H259-C262 PolarHBondContact O-N 3.04Å; H259-F263 AromaticContact CD2-CD1 3.91Å; H259-F263 AromaticContact CD2-CD2 3.85Å; H259-F263 AromaticContact CD2-CE1 3.53Å; H259-F263 AromaticContact CD2-CE2 3.5Å; H259-F263 AromaticContact CD2-CZ 3.35Å; H259-F263 WeakPolarHBondContact CD2-CZ 3.35Å; H259-F263 AromaticContact NE2-CE1 3.35Å; H259-F263 VanDerWaalsContact NE2-CE1 3.35Å; H259-F263 WeakPolarHBondContact NE2-CE1 3.31Å; H259-F263 AromaticContact NE2-CE2 3.68Å; H259-F263 AromaticContact NE2-CZ 3.08Å; H259-F263 WeakPolarHBondContact NE2-CZ 3.44Å; H259-F263 WeakPolarHBondContact O-CG 3.46Å; H259-F263 PolarHBondContact O-N 3.43Å; H259-P378 HydrophobicContact CB-CB 4.01Å; H259-I379 WeakPolarHBondContact ND1-CD1 3.37Å; H259-I379 WeakPolarHBondContact ND1-CG1 3.41Å; H259-S434 PolarHBondContact CE1-OG 2.53Å
260	V	94.6	Very high	93.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-41.5	174.6	169.4	0	0	0	0	111.9	H256 V258 F263 L264 P378 Y473 I515 W520 F523	H256-V260 WeakPolarHBondContact O-CB 3.41Å; H256-V260 VanDerWaalsContact O-CG2 3.3Å; H256-V260 WeakPolarHBondContact O-CG2 3.37Å; H256-V260 PolarHBondContact O-N 3.06Å; V258-V260 VanDerWaalsContact C-N 3.33Å; V258-V260 PolarHBondContact O-N 3.48Å; V260-F263 PolarHBondContact O-N 3.06Å; V260-L264 HydrophobicContact CG1-CD1 4.06Å; V260-L264 WeakPolarHBondContact O-CG 3.44Å; V260-L264 PolarHBondContact O-N 3.46Å; V260-P378 HydrophobicContact CG2-CB 3.98Å; V260-P378 HydrophobicContact CG2-CG 3.74Å; V260-Y473 HydrophobicContact CG2-CD2 4.37Å; V260-Y473 HydrophobicContact CG2-CE2 3.8Å; V260-I515 HydrophobicContact CB-CD1 4.13Å; V260-I515 HydrophobicContact CG1-CD1 4.17Å; V260-I515 HydrophobicContact CG2-CD1 4.06Å; V260-W520 HydrophobicContact CG1-CE3 4.15Å; V260-W520 HydrophobicContact CG1-CZ3 3.62Å; V260-F523 HydrophobicContact CG1-CD2 4.12Å
261	L	94.8	Very high	93.6	Very high	57 Å²	57	42.5 Å²	42.5	30%	0.298	23%	0.229	S	C	.	.	H	α-helix	trans	-66.9	-39.5	176.5	-72.4	169.1	0	0	0	112.5	S257 V258 H259 L264 A265 F523	S257-L261 WeakPolarHBondContact O-CG 3.42Å; S257-L261 PolarHBondContact O-N 3.18Å; S257-L261 VanDerWaalsContact O-N 3.16Å; V258-L261 PolarHBondContact O-N 3.31Å; V258-L261 VanDerWaalsContact O-N 3.08Å; H259-L261 PolarHBondContact O-N 2.97Å; L261-L264 PolarHBondContact O-N 3.14Å; L261-A265 PolarHBondContact O-N 2.92Å; L261-F523 HydrophobicContact CD1-CE1 4.25Å; L261-F523 HydrophobicContact CD1-CE2 3.99Å; L261-F523 HydrophobicContact CD1-CZ 3.79Å; L261-F523 HydrophobicContact CD2-CB 4.25Å; L261-F523 HydrophobicContact CD2-CD1 4.1Å; L261-F523 HydrophobicContact CD2-CD2 3.69Å; L261-F523 HydrophobicContact CD2-CE1 4.31Å; L261-F523 HydrophobicContact CD2-CE2 3.92Å; L261-F523 HydrophobicContact CD2-CG 3.77Å; L261-F523 HydrophobicContact CD2-CZ 4.22Å; L261-F523 HydrophobicContact CG-CD2 3.91Å; L261-F523 HydrophobicContact CG-CE2 3.65Å; L261-F523 HydrophobicContact CG-CG 4.43Å; L261-F523 HydrophobicContact CG-CZ 3.98Å
262	C	95	Very high	93.8	Very high	75 Å²	75	42.2 Å²	42.2	51%	0.507	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-41.5	173.8	-67.1	0	0	0	0	111.9	V258 H259 A265 H266	V258-C262 PolarHBondContact O-N 2.97Å; V258-C262 PolarHBondContact O-SG 3.03Å; V258-C262 VanDerWaalsContact O-SG 3.36Å; H259-C262 PolarHBondContact O-N 3.04Å; C262-A265 PolarHBondContact O-N 3.34Å; C262-H266 PolarHBondContact O-N 3.19Å
263	F	94.8	Very high	93.9	Very high	19 Å²	19	40.1 Å²	40.1	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-37.4	174.3	-75.4	-15.5	0	0	0	113.4	H259 V260 H266 S267 L376 P378 I436	H259-F263 AromaticContact CD2-CD1 3.91Å; H259-F263 AromaticContact CD2-CD2 3.85Å; H259-F263 AromaticContact CD2-CE1 3.53Å; H259-F263 AromaticContact CD2-CE2 3.5Å; H259-F263 AromaticContact CD2-CZ 3.35Å; H259-F263 WeakPolarHBondContact CD2-CZ 3.35Å; H259-F263 AromaticContact NE2-CE1 3.35Å; H259-F263 VanDerWaalsContact NE2-CE1 3.35Å; H259-F263 WeakPolarHBondContact NE2-CE1 3.31Å; H259-F263 AromaticContact NE2-CE2 3.68Å; H259-F263 AromaticContact NE2-CZ 3.08Å; H259-F263 WeakPolarHBondContact NE2-CZ 3.44Å; H259-F263 WeakPolarHBondContact O-CG 3.46Å; H259-F263 PolarHBondContact O-N 3.43Å; V260-F263 PolarHBondContact O-N 3.06Å; F263-H266 PolarHBondContact O-N 3.02Å; F263-S267 PolarHBondContact O-N 3.45Å; F263-L376 HydrophobicContact CB-CD1 3.81Å; F263-L376 HydrophobicContact CB-CD2 3.84Å; F263-L376 HydrophobicContact CB-CG 4.32Å; F263-L376 HydrophobicContact CD2-CB 3.84Å; F263-L376 HydrophobicContact CD2-CD1 4.38Å; F263-L376 HydrophobicContact CD2-CD2 3.99Å; F263-L376 HydrophobicContact CD2-CG 4.28Å; F263-L376 HydrophobicContact CE2-CB 4.29Å; F263-L376 HydrophobicContact CG-CD2 4Å; F263-P378 HydrophobicContact CD2-CB 4.4Å; F263-P378 HydrophobicContact CE2-CB 4.11Å; F263-I436 HydrophobicContact CD1-CD1 3.65Å; F263-I436 HydrophobicContact CD1-CG1 3.97Å; F263-I436 HydrophobicContact CE1-CD1 3.6Å; F263-I436 HydrophobicContact CE1-CG1 3.59Å; F263-I436 HydrophobicContact CE2-CG1 4.47Å; F263-I436 HydrophobicContact CG-CD1 4.47Å; F263-I436 HydrophobicContact CZ-CD1 4.37Å; F263-I436 HydrophobicContact CZ-CG1 3.85Å
264	L	95.2	Very high	94.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-34	173.2	-71.8	167.6	0	0	0	112.3	V260 L261 S267 R268 V475 W520 F523 L524 Q527	V260-L264 HydrophobicContact CG1-CD1 4.06Å; V260-L264 WeakPolarHBondContact O-CG 3.44Å; V260-L264 PolarHBondContact O-N 3.46Å; L261-L264 PolarHBondContact O-N 3.14Å; L264-S267 PolarHBondContact O-OG 2.95Å; L264-R268 PolarHBondContact O-N 2.97Å; L264-V475 HydrophobicContact CD2-CG1 4.1Å; L264-V475 HydrophobicContact CD2-CG2 4.33Å; L264-W520 HydrophobicContact CD1-CH2 4.48Å; L264-W520 HydrophobicContact CD1-CZ3 3.97Å; L264-W520 HydrophobicContact CD2-CH2 4.2Å; L264-W520 HydrophobicContact CD2-CZ3 4.49Å; L264-F523 HydrophobicContact CD1-CB 4.2Å; L264-L524 HydrophobicContact CD2-CD2 4.26Å; L264-Q527 HydrophobicContact CB-CG 3.85Å; L264-Q527 HydrophobicContact CD1-CG 4.14Å; L264-Q527 HydrophobicContact CG-CG 4.46Å
265	A	94.4	Very high	94.1	Very high	48 Å²	48	33 Å²	33	40%	0.397	18%	0.177	S	C	.	.	H	α-helix	trans	-66.5	-39.1	170.2	0	0	0	0	0	111.6	L261 C262 R268 V269	L261-A265 PolarHBondContact O-N 2.92Å; C262-A265 PolarHBondContact O-N 3.34Å; A265-R268 PolarHBondContact O-N 3.43Å; A265-V269 PolarHBondContact O-N 2.76Å
266	H	93.3	Very high	94.2	Very high	62 Å²	62	29.9 Å²	29.9	29%	0.287	16%	0.164	S	C	.	.	H	α-helix	trans	-64.9	-40.3	175.3	-177.7	73.9	0	0	0	112.7	C262 F263 R268 V269 V270	C262-H266 PolarHBondContact O-N 3.19Å; F263-H266 PolarHBondContact O-N 3.02Å; H266-R268 VanDerWaalsContact C-N 3.25Å; H266-R268 PolarHBondContact O-N 3.29Å; H266-V269 PolarHBondContact O-N 2.92Å; H266-V270 WeakPolarHBondContact NE2-CG2 3.47Å; H266-V270 PolarHBondContact O-N 2.75Å
267	S	93.8	Very high	94.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-34.8	176.6	72.1	0	0	0	0	112.7	F263 L264 N271	F263-S267 PolarHBondContact O-N 3.45Å; L264-S267 PolarHBondContact O-OG 2.95Å; S267-N271 WeakPolarHBondContact O-CB 3.07Å; S267-N271 PolarHBondContact O-N 2.73Å
268	R	94.8	Very high	94.1	Very high	61 Å²	61	37.1 Å²	37.1	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-43.8	171.4	-176.4	177.9	163.7	-121.6	-6.6	112.3	L264 A265 H266 N271 R272 F531 D534	L264-R268 PolarHBondContact O-N 2.97Å; A265-R268 PolarHBondContact O-N 3.43Å; H266-R268 VanDerWaalsContact C-N 3.25Å; H266-R268 PolarHBondContact O-N 3.29Å; R268-N271 PolarHBondContact O-N 3.37Å; R268-R272 WeakPolarHBondContact O-CG 3.41Å; R268-R272 PolarHBondContact O-N 2.91Å; R268-F531 HydrophobicContact CB-CE1 4.14Å; R268-F531 HydrophobicContact CB-CE2 3.89Å; R268-F531 HydrophobicContact CB-CZ 3.6Å; R268-F531 HydrophobicContact CG-CE1 4.2Å; R268-F531 HydrophobicContact CG-CE2 4.27Å; R268-F531 HydrophobicContact CG-CZ 4.08Å; R268-D534 IonicContact CZ-OD1 3.23Å; R268-D534 IonicContact CZ-OD2 3.91Å; R268-D534 IonicContact NE-OD1 3.6Å; R268-D534 IonicContact NE-OD2 3.04Å; R268-D534 PolarHBondContact NE-OD2 3.46Å; R268-D534 IonicContact NH2-OD1 3.4Å; R268-D534 PolarHBondContact NH2-OD1 2.92Å; R268-D534 IonicContact NH2-OD2 2.85Å; R268-D534 PolarHBondContact NH2-OD2 3.33Å
269	V	93.1	Very high	94.1	Very high	73 Å²	73	33 Å²	33	44%	0.442	18%	0.182	S	C	.	.	H	α-helix	trans	-59.9	-50.5	176.3	175.2	0	0	0	0	110.8	A265 H266 N271 R272 T273	A265-V269 PolarHBondContact O-N 2.76Å; H266-V269 PolarHBondContact O-N 2.92Å; V269-N271 VanDerWaalsContact C-N 3.3Å; V269-N271 PolarHBondContact O-N 2.95Å; V269-R272 PolarHBondContact O-N 3.26Å; V269-R272 VanDerWaalsContact O-N 3.14Å; V269-T273 PolarHBondContact O-N 2.71Å; V269-T273 PolarHBondContact O-OG1 3.06Å; V269-T273 VanDerWaalsContact O-OG1 3.1Å
270	V	94	Very high	94.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-40.8	176.7	176.6	0	0	0	0	111.3	H266 R272 T273 C274 I357 I372 L374	H266-V270 WeakPolarHBondContact NE2-CG2 3.47Å; H266-V270 PolarHBondContact O-N 2.75Å; V270-R272 PolarHBondContact O-N 2.94Å; V270-T273 WeakPolarHBondContact O-CB 3.24Å; V270-T273 PolarHBondContact O-N 3.18Å; V270-C274 PolarHBondContact O-N 3.34Å; V270-C274 PolarHBondContact O-SG 3.27Å; V270-C274 VanDerWaalsContact O-SG 3.41Å; V270-I357 HydrophobicContact CG1-CD1 4Å; V270-I357 HydrophobicContact CG1-CG1 4.13Å; V270-I372 HydrophobicContact CG1-CG1 3.98Å; V270-L374 HydrophobicContact CG2-CD2 4.48Å
271	N	95.4	Very high	94.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-35.7	177.6	-166.4	52.2	0	0	0	113.4	S267 R268 V269 C274 D275 R364 I372 A477 C478 F531	S267-N271 WeakPolarHBondContact O-CB 3.07Å; S267-N271 PolarHBondContact O-N 2.73Å; R268-N271 PolarHBondContact O-N 3.37Å; V269-N271 VanDerWaalsContact C-N 3.3Å; V269-N271 PolarHBondContact O-N 2.95Å; N271-C274 PolarHBondContact O-N 3.49Å; N271-D275 PolarHBondContact O-N 2.86Å; N271-R364 PolarHBondContact O-NH1 3.46Å; N271-R364 VanDerWaalsContact OD1-CZ 3.27Å; N271-R364 PolarHBondContact OD1-NH1 3.3Å; N271-R364 PolarHBondContact OD1-NH2 2.87Å; N271-I372 HydrophobicContact CB-CG2 4.14Å; N271-A477 HydrophobicContact CB-CB 3.91Å; N271-A477 PolarHBondContact OD1-O 2.93Å; N271-C478 PolarHBondContact ND2-O 3.38Å; N271-C478 PolarHBondContact OD1-O 3.17Å; N271-F531 HydrophobicContact CB-CE1 3.98Å
272	R	93.7	Very high	94	Very high	82 Å²	82	33.7 Å²	33.7	31%	0.309	19%	0.193	S	C	.	.	H	α-helix	trans	-67.5	-39.8	173.1	-70.4	-176.7	115.7	-139.8	0.5	111.2	R268 V269 V270 C274 D275 S276 D534 E537	R268-R272 WeakPolarHBondContact O-CG 3.41Å; R268-R272 PolarHBondContact O-N 2.91Å; V269-R272 PolarHBondContact O-N 3.26Å; V269-R272 VanDerWaalsContact O-N 3.14Å; V270-R272 PolarHBondContact O-N 2.94Å; R272-C274 VanDerWaalsContact C-N 3.35Å; R272-C274 PolarHBondContact O-N 3.01Å; R272-D275 CarbonylContact O-C 3.49Å; R272-D275 WeakPolarHBondContact O-CA 3.21Å; R272-D275 PolarHBondContact O-N 3.18Å; R272-S276 PolarHBondContact O-N 3.43Å; R272-D534 WeakPolarHBondContact CD-OD2 3.44Å; R272-D534 IonicContact CZ-OD1 3.83Å; R272-D534 VanDerWaalsContact CZ-OD1 3.28Å; R272-D534 IonicContact NE-OD1 2.7Å; R272-D534 PolarHBondContact NE-OD1 3.26Å; R272-D534 IonicContact NE-OD2 3.79Å; R272-D534 PolarHBondContact NE-OD2 3.42Å; R272-D534 IonicContact NH2-OD1 3.39Å; R272-D534 PolarHBondContact NH2-OD1 3.05Å; R272-D534 VanDerWaalsContact NH2-OD1 3.14Å; R272-E537 IonicContact CZ-OE2 2.73Å; R272-E537 IonicContact NH2-OE1 3.75Å; R272-E537 IonicContact NH2-OE2 3.97Å; R272-E537 PolarHBondContact NH2-OE2 3.25Å
273	T	93.4	Very high	93.9	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-56.7	-45.6	172.5	-54	0	0	0	0	111.8	V269 V270 D275 S276 C279 Y337 E338 L341 I357	V269-T273 PolarHBondContact O-N 2.71Å; V269-T273 PolarHBondContact O-OG1 3.06Å; V269-T273 VanDerWaalsContact O-OG1 3.1Å; V270-T273 WeakPolarHBondContact O-CB 3.24Å; V270-T273 PolarHBondContact O-N 3.18Å; T273-D275 PolarHBondContact O-N 2.9Å; T273-D275 VanDerWaalsContact O-N 3.14Å; T273-S276 WeakPolarHBondContact O-CB 3.38Å; T273-S276 PolarHBondContact O-N 3.41Å; T273-C279 WeakPolarHBondContact O-CB 3.09Å; T273-Y337 HydrophobicContact CG2-CD1 3.79Å; T273-Y337 HydrophobicContact CG2-CE1 3.95Å; T273-Y337 WeakPolarHBondContact OG1-CD1 3.48Å; T273-E338 HydrophobicContact CG2-CG 4.12Å; T273-L341 HydrophobicContact CG2-CD1 4.43Å; T273-I357 HydrophobicContact CG2-CG2 3.83Å
274	C	94.4	Very high	93.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-20.2	174.3	-67.8	0	0	0	0	114.1	V270 N271 R272 V360 A361	V270-C274 PolarHBondContact O-N 3.34Å; V270-C274 PolarHBondContact O-SG 3.27Å; V270-C274 VanDerWaalsContact O-SG 3.41Å; N271-C274 PolarHBondContact O-N 3.49Å; R272-C274 VanDerWaalsContact C-N 3.35Å; R272-C274 PolarHBondContact O-N 3.01Å; C274-V360 HydrophobicContact CB-CG1 4.06Å; C274-A361 WeakPolarHBondContact O-CA 3.24Å; C274-A361 WeakPolarHBondContact O-CB 3.35Å
275	D	93.7	Very high	93.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-101.7	-6.6	-179.9	-78.1	2.5	0	0	0	114.4	N271 R272 T273 R280 R364 S479 V480 R481	N271-D275 PolarHBondContact O-N 2.86Å; R272-D275 CarbonylContact O-C 3.49Å; R272-D275 WeakPolarHBondContact O-CA 3.21Å; R272-D275 PolarHBondContact O-N 3.18Å; T273-D275 PolarHBondContact O-N 2.9Å; T273-D275 VanDerWaalsContact O-N 3.14Å; D275-R280 IonicContact OD1-CZ 2.63Å; D275-R280 IonicContact OD1-NE 2.88Å; D275-R280 IonicContact OD1-NH2 3.81Å; D275-R280 PolarHBondContact OD1-NH2 2.94Å; D275-R280 IonicContact OD2-NH2 3.87Å; D275-R364 VanDerWaalsContact OD1-CD 3.24Å; D275-R364 WeakPolarHBondContact OD1-CD 3.36Å; D275-R364 IonicContact OD1-CZ 2.9Å; D275-R364 IonicContact OD1-NE 2.8Å; D275-R364 IonicContact OD1-NH1 3.58Å; D275-R364 PolarHBondContact OD1-NH1 3.19Å; D275-R364 IonicContact OD2-NH1 3.37Å; D275-S479 PolarHBondContact OD1-OG 2.77Å; D275-S479 WeakPolarHBondContact OD2-CA 3.45Å; D275-S479 PolarHBondContact OD2-OG 3.11Å; D275-V480 HydrophobicContact CB-CG2 4.48Å; D275-V480 WeakPolarHBondContact OD2-CG2 3.3Å; D275-V480 PolarHBondContact OD2-N 3.29Å; D275-R481 HydrophobicContact CB-CB 4.07Å; D275-R481 WeakPolarHBondContact O-CD 3.49Å; D275-R481 PolarHBondContact O-NH1 3.13Å; D275-R481 PolarHBondContact OD2-N 2.51Å
276	S	93.1	Very high	93.6	Very high	13 Å²	13	34.2 Å²	34.2	9%	0.091	19%	0.19	C	C	.	.			trans	-56.5	136.8	172.7	174.7	0	0	0	0	112	R272 T273 L278 R280 E338	R272-S276 PolarHBondContact O-N 3.43Å; T273-S276 WeakPolarHBondContact O-CB 3.38Å; T273-S276 PolarHBondContact O-N 3.41Å; S276-L278 PolarHBondContact O-N 3.19Å; S276-L278 PolarHBondContact OG-N 3.44Å; S276-L278 VanDerWaalsContact OG-N 3.07Å; S276-R280 WeakPolarHBondContact O-CB 3.5Å; S276-R280 WeakPolarHBondContact O-CG 3.46Å; S276-R280 PolarHBondContact O-N 2.98Å; S276-E338 VanDerWaalsContact CB-CD 3.41Å; S276-E338 VanDerWaalsContact CB-OE1 3.24Å; S276-E338 WeakPolarHBondContact CB-OE1 3.43Å; S276-E338 WeakPolarHBondContact CB-OE2 3.42Å; S276-E338 VanDerWaalsContact OG-CD 3.24Å; S276-E338 PolarHBondContact OG-OE1 3.16Å; S276-E338 PolarHBondContact OG-OE2 3.43Å
277	S	93.2	Very high	93.5	Very high	75 Å²	75	31.3 Å²	31.3	52%	0.524	18%	0.177	S	C	.	.	H	α-helix	trans	-58	-29.5	172.2	-60.9	0	0	0	0	112.5	A281 R481	S277-A281 VanDerWaalsContact O-CB 3.28Å; S277-A281 WeakPolarHBondContact O-CB 3.24Å; S277-A281 PolarHBondContact O-N 3.28Å; S277-A281 VanDerWaalsContact O-N 3.07Å; S277-R481 PolarHBondContact OG-NH1 3.4Å; S277-R481 PolarHBondContact OG-NH2 2.95Å; S277-R481 VanDerWaalsContact OG-NH2 3.15Å
278	L	93.3	Very high	93.3	Very high	82 Å²	82	32.3 Å²	32.3	43%	0.429	19%	0.185	S	C	.	.	H	α-helix	trans	-74.2	-55.7	-179.7	-178.9	56.2	0	0	0	111.3	S276 R280 A281 L282 V342	S276-L278 PolarHBondContact O-N 3.19Å; S276-L278 PolarHBondContact OG-N 3.44Å; S276-L278 VanDerWaalsContact OG-N 3.07Å; L278-R280 VanDerWaalsContact C-N 3.26Å; L278-R280 PolarHBondContact O-N 3.26Å; L278-A281 PolarHBondContact O-N 3.37Å; L278-L282 HydrophobicContact CD1-CD1 3.91Å; L278-L282 HydrophobicContact CD1-CG 4.2Å; L278-L282 HydrophobicContact CG-CD1 4.01Å; L278-L282 WeakPolarHBondContact O-CB 3.41Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 3.06Å; L278-V342 HydrophobicContact CD2-CG2 4.04Å; L278-V342 HydrophobicContact CG-CG2 4.35Å
279	C	93.6	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-36.6	177.2	-63.1	0	0	0	0	112	T273 G283 A361	T273-C279 WeakPolarHBondContact O-CB 3.09Å; C279-G283 PolarHBondContact O-N 3.23Å; C279-A361 HydrophobicContact CB-CB 4.12Å
280	R	94.1	Very high	92.8	Very high	14 Å²	14	30.5 Å²	30.5	5%	0.053	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-47.7	173.6	-75.6	-174.6	171.1	-160.9	5.6	112.7	D275 S276 L278 I284 A361 S365 S479 R481	D275-R280 IonicContact OD1-CZ 2.63Å; D275-R280 IonicContact OD1-NE 2.88Å; D275-R280 IonicContact OD1-NH2 3.81Å; D275-R280 PolarHBondContact OD1-NH2 2.94Å; D275-R280 IonicContact OD2-NH2 3.87Å; S276-R280 WeakPolarHBondContact O-CB 3.5Å; S276-R280 WeakPolarHBondContact O-CG 3.46Å; S276-R280 PolarHBondContact O-N 2.98Å; L278-R280 VanDerWaalsContact C-N 3.26Å; L278-R280 PolarHBondContact O-N 3.26Å; R280-I284 WeakPolarHBondContact O-CG1 3.3Å; R280-I284 PolarHBondContact O-N 2.92Å; R280-I284 VanDerWaalsContact O-N 3.09Å; R280-A361 HydrophobicContact CG-CB 4.02Å; R280-S365 WeakPolarHBondContact CB-OG 3.18Å; R280-S365 VanDerWaalsContact CD-OG 3.28Å; R280-S365 WeakPolarHBondContact CD-OG 3.22Å; R280-S365 WeakPolarHBondContact CG-OG 3.46Å; R280-S479 PolarHBondContact NH2-OG 2.95Å; R280-R481 PolarHBondContact NH2-O 3.2Å
281	A	94.1	Very high	92.5	Very high	50 Å²	50	36 Å²	36	41%	0.413	21%	0.207	S	C	.	.	H	α-helix	trans	-66	-42.6	178.3	0	0	0	0	0	112.4	S277 L278 S285	S277-A281 VanDerWaalsContact O-CB 3.28Å; S277-A281 WeakPolarHBondContact O-CB 3.24Å; S277-A281 PolarHBondContact O-N 3.28Å; S277-A281 VanDerWaalsContact O-N 3.07Å; L278-A281 PolarHBondContact O-N 3.37Å; A281-S285 WeakPolarHBondContact O-CB 3.35Å; A281-S285 PolarHBondContact O-N 3.3Å; A281-S285 PolarHBondContact O-OG 3.13Å
282	L	93.1	Very high	92.2	Very high	47 Å²	47	38.6 Å²	38.6	25%	0.246	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-47.2	176.5	-69.6	170.5	0	0	0	111.5	L278 I284 S285 L286 V342 L358	L278-L282 HydrophobicContact CD1-CD1 3.91Å; L278-L282 HydrophobicContact CD1-CG 4.2Å; L278-L282 HydrophobicContact CG-CD1 4.01Å; L278-L282 WeakPolarHBondContact O-CB 3.41Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 3.06Å; L282-I284 PolarHBondContact O-N 3.34Å; L282-S285 WeakPolarHBondContact O-CB 3.47Å; L282-S285 PolarHBondContact O-N 2.7Å; L282-S285 VanDerWaalsContact O-N 3.1Å; L282-L286 WeakPolarHBondContact O-CG 3.3Å; L282-L286 PolarHBondContact O-N 3.02Å; L282-V342 HydrophobicContact CD1-CG2 3.59Å; L282-L358 HydrophobicContact CB-CD2 3.89Å
283	G	93.5	Very high	92	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-45.8	177.8	0	0	0	0	0	112.9	C279 S285 L286 L287	C279-G283 PolarHBondContact O-N 3.23Å; G283-S285 VanDerWaalsContact C-N 3.34Å; G283-S285 PolarHBondContact O-N 2.66Å; G283-L286 PolarHBondContact O-N 3.48Å; G283-L287 PolarHBondContact O-N 2.68Å
284	I	93.5	Very high	92	Very high	54 Å²	54	36.8 Å²	36.8	28%	0.277	22%	0.222	S	C	.	.	H	α-helix	trans	-60.5	-43.6	173.3	-68.4	163.4	0	0	0	111.2	R280 L282 L286 L287 A288 F301	R280-I284 WeakPolarHBondContact O-CG1 3.3Å; R280-I284 PolarHBondContact O-N 2.92Å; R280-I284 VanDerWaalsContact O-N 3.09Å; L282-I284 PolarHBondContact O-N 3.34Å; I284-L286 VanDerWaalsContact C-N 3.31Å; I284-L286 PolarHBondContact O-N 3.19Å; I284-L287 PolarHBondContact O-N 2.86Å; I284-A288 PolarHBondContact O-N 2.86Å; I284-F301 HydrophobicContact CG2-CE2 3.89Å; I284-F301 HydrophobicContact CG2-CZ 4.09Å
285	S	93	Very high	91.8	Very high	75 Å²	75	40.6 Å²	40.6	52%	0.524	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-36.2	-178.2	-56.2	0	0	0	0	112.3	A281 L282 G283	A281-S285 WeakPolarHBondContact O-CB 3.35Å; A281-S285 PolarHBondContact O-N 3.3Å; A281-S285 PolarHBondContact O-OG 3.13Å; L282-S285 WeakPolarHBondContact O-CB 3.47Å; L282-S285 PolarHBondContact O-N 2.7Å; L282-S285 VanDerWaalsContact O-N 3.1Å; G283-S285 VanDerWaalsContact C-N 3.34Å; G283-S285 PolarHBondContact O-N 2.66Å
286	L	91.6	Very high	91.5	Very high	24 Å²	24	46.5 Å²	46.5	13%	0.126	27%	0.27	C	S	.	.	H	α-helix	trans	-73.6	-43	174.7	-65.8	170.3	0	0	0	111.6	L282 G283 I284 A288 N289 L319 Y322 L345 L358	L282-L286 WeakPolarHBondContact O-CG 3.3Å; L282-L286 PolarHBondContact O-N 3.02Å; G283-L286 PolarHBondContact O-N 3.48Å; I284-L286 VanDerWaalsContact C-N 3.31Å; I284-L286 PolarHBondContact O-N 3.19Å; L286-A288 PolarHBondContact O-N 2.82Å; L286-N289 WeakPolarHBondContact O-CB 3.35Å; L286-N289 PolarHBondContact O-N 3.11Å; L286-N289 VanDerWaalsContact O-N 3.13Å; L286-L319 HydrophobicContact CB-CD2 3.56Å; L286-L319 HydrophobicContact CD1-CD2 3.62Å; L286-L319 HydrophobicContact CG-CD2 4.22Å; L286-Y322 HydrophobicContact CD2-CD2 4.36Å; L286-Y322 HydrophobicContact CD2-CE1 4.1Å; L286-Y322 HydrophobicContact CD2-CE2 3.88Å; L286-L345 HydrophobicContact CD1-CD1 4.36Å; L286-L345 HydrophobicContact CD1-CD2 4.23Å; L286-L358 HydrophobicContact CD1-CD1 3.97Å
287	L	91.6	Very high	91.3	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-24	175.2	-73.2	-164.3	0	0	0	113.2	G283 I284 N289 T290 F301 C315 L319 L359 A362 L366	G283-L287 PolarHBondContact O-N 2.68Å; I284-L287 PolarHBondContact O-N 2.86Å; L287-N289 PolarHBondContact O-N 2.9Å; L287-N289 VanDerWaalsContact O-N 3.1Å; L287-T290 WeakPolarHBondContact O-CB 3.44Å; L287-T290 PolarHBondContact O-N 3.34Å; L287-T290 PolarHBondContact O-OG1 3.1Å; L287-F301 HydrophobicContact CB-CE1 4.12Å; L287-F301 HydrophobicContact CB-CZ 4.38Å; L287-C315 HydrophobicContact CD2-CB 3.71Å; L287-L319 HydrophobicContact CD2-CD1 3.64Å; L287-L319 HydrophobicContact CD2-CG 4.06Å; L287-L319 HydrophobicContact CG-CD1 4.29Å; L287-L359 HydrophobicContact CD1-CD1 4.41Å; L287-L359 HydrophobicContact CD2-CD1 4.29Å; L287-A362 HydrophobicContact CD1-CB 3.47Å; L287-A362 VanDerWaalsContact CD1-CB 3.47Å; L287-A362 HydrophobicContact CG-CB 3.86Å; L287-L366 HydrophobicContact CD1-CD1 4.42Å
288	A	89.3	Confident	91.1	Very high	22 Å²	22	55.3 Å²	55.3	18%	0.182	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.1	174.3	0	0	0	0	0	113.5	I284 L286 T290 Y294 F301	I284-A288 PolarHBondContact O-N 2.86Å; L286-A288 PolarHBondContact O-N 2.82Å; A288-T290 VanDerWaalsContact C-N 3.26Å; A288-T290 PolarHBondContact O-N 3.14Å; A288-Y294 HydrophobicContact CB-CD1 4.19Å; A288-Y294 HydrophobicContact CB-CD2 4.34Å; A288-Y294 HydrophobicContact CB-CE1 4.21Å; A288-Y294 HydrophobicContact CB-CE2 4.36Å; A288-Y294 HydrophobicContact CB-CG 4.23Å; A288-Y294 WeakPolarHBondContact O-CD1 3.46Å; A288-F301 HydrophobicContact CB-CZ 4.36Å
289	N	87.1	Confident	91	Very high	89 Å²	89	59 Å²	59	48%	0.476	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.1	173.1	-61.7	-32.2	0	0	0	113.1	L286 L287 N291 Y322	L286-N289 WeakPolarHBondContact O-CB 3.35Å; L286-N289 PolarHBondContact O-N 3.11Å; L286-N289 VanDerWaalsContact O-N 3.13Å; L287-N289 PolarHBondContact O-N 2.9Å; L287-N289 VanDerWaalsContact O-N 3.1Å; N289-N291 PolarHBondContact O-N 3.29Å; N289-Y322 PolarHBondContact ND2-OH 3.14Å
290	T	90	Very high	90.8	Very high	8 Å²	8	65.2 Å²	65.2	5%	0.049	35%	0.345	C	S	.	.			trans	-89.1	95.4	-175.7	59.6	0	0	0	0	113	L287 A288 A292 V293 Y294 S318	L287-T290 WeakPolarHBondContact O-CB 3.44Å; L287-T290 PolarHBondContact O-N 3.34Å; L287-T290 PolarHBondContact O-OG1 3.1Å; A288-T290 VanDerWaalsContact C-N 3.26Å; A288-T290 PolarHBondContact O-N 3.14Å; T290-A292 PolarHBondContact O-N 2.98Å; T290-V293 PolarHBondContact O-N 3.48Å; T290-V293 WeakPolarHBondContact OG1-CG2 3.5Å; T290-Y294 PolarHBondContact O-N 2.96Å; T290-S318 VanDerWaalsContact CG2-OG 3.27Å; T290-S318 WeakPolarHBondContact CG2-OG 3.13Å
291	N	87.7	Confident	90.7	Very high	115 Å²	115	66.9 Å²	66.9	62%	0.615	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-16.2	179.1	-64.6	-29.1	0	0	0	115.1	N289 Q296	N289-N291 PolarHBondContact O-N 3.29Å; N291-Q296 PolarHBondContact OD1-NE2 3.28Å
292	A	88.5	Confident	90.5	Very high	55 Å²	55	66.1 Å²	66.1	46%	0.455	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-30	175.4	0	0	0	0	0	113.5	T290 A314	T290-A292 PolarHBondContact O-N 2.98Å; A292-A314 HydrophobicContact CB-CB 3.72Å
293	V	91	Very high	90.3	Very high	4 Å²	4	73.5 Å²	73.5	2%	0.024	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-21.8	178.4	-66.5	0	0	0	0	113.7	T290 F301 A302 W307 H311	T290-V293 PolarHBondContact O-N 3.48Å; T290-V293 WeakPolarHBondContact OG1-CG2 3.5Å; V293-F301 HydrophobicContact CB-CD1 4.48Å; V293-F301 HydrophobicContact CG2-CD1 4.2Å; V293-F301 HydrophobicContact CG2-CE1 4.39Å; V293-F301 CarbonylContact O-C 3.44Å; V293-F301 VanDerWaalsContact O-CA 3.24Å; V293-F301 WeakPolarHBondContact O-CA 3.46Å; V293-A302 PolarHBondContact O-N 3.14Å; V293-W307 HydrophobicContact CB-CH2 3.87Å; V293-W307 HydrophobicContact CB-CZ2 3.69Å; V293-W307 HydrophobicContact CG1-CD2 4Å; V293-W307 HydrophobicContact CG1-CE3 4Å; V293-W307 HydrophobicContact CG1-CH2 3.61Å; V293-W307 HydrophobicContact CG1-CZ2 3.6Å; V293-W307 HydrophobicContact CG1-CZ3 3.81Å; V293-W307 HydrophobicContact CG2-CH2 4.03Å; V293-W307 HydrophobicContact CG2-CZ2 4.27Å; V293-H311 HydrophobicContact CG1-CB 3.71Å
294	Y	92.4	Very high	90.1	Very high	44 Å²	44	75.7 Å²	75.7	17%	0.173	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.6	179.2	-171.7	-102.3	0	0	0	111.9	A288 T290 Q296 K299 F301	A288-Y294 HydrophobicContact CB-CD1 4.19Å; A288-Y294 HydrophobicContact CB-CD2 4.34Å; A288-Y294 HydrophobicContact CB-CE1 4.21Å; A288-Y294 HydrophobicContact CB-CE2 4.36Å; A288-Y294 HydrophobicContact CB-CG 4.23Å; A288-Y294 WeakPolarHBondContact O-CD1 3.46Å; T290-Y294 PolarHBondContact O-N 2.96Å; Y294-Q296 PolarHBondContact O-N 2.95Å; Y294-K299 VanDerWaalsContact OH-CA 3.26Å; Y294-K299 WeakPolarHBondContact OH-CA 3.45Å; Y294-K299 WeakPolarHBondContact OH-CB 3.47Å; Y294-K299 PolarHBondContact OH-O 3.34Å; Y294-F301 AromaticContact CD2-CD1 3.93Å; Y294-F301 HydrophobicContact CD2-CD1 3.93Å; Y294-F301 AromaticContact CD2-CD2 3.82Å; Y294-F301 HydrophobicContact CD2-CD2 3.82Å; Y294-F301 AromaticContact CD2-CE1 3.79Å; Y294-F301 HydrophobicContact CD2-CE1 3.79Å; Y294-F301 AromaticContact CD2-CE2 3.67Å; Y294-F301 HydrophobicContact CD2-CE2 3.67Å; Y294-F301 AromaticContact CD2-CG 3.94Å; Y294-F301 HydrophobicContact CD2-CG 3.94Å; Y294-F301 AromaticContact CD2-CZ 3.66Å; Y294-F301 HydrophobicContact CD2-CZ 3.66Å; Y294-F301 HydrophobicContact CE2-CD2 4.2Å; Y294-F301 AromaticContact CE2-CE2 3.96Å; Y294-F301 HydrophobicContact CE2-CE2 3.96Å; Y294-F301 HydrophobicContact CE2-CZ 4.28Å; Y294-F301 HydrophobicContact CG-CE1 4.27Å; Y294-F301 HydrophobicContact CG-CZ 4.41Å
295	N	90.5	Very high	89.9	Confident	80 Å²	80	77.2 Å²	77.2	43%	0.428	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	103.2	177.2	-179.6	-19.3	0	0	0	110.1	K297 T298 K299 Q300	N295-K297 PolarHBondContact O-N 3.41Å; N295-K297 VanDerWaalsContact O-N 3.09Å; N295-K297 WeakPolarHBondContact OD1-CB 3.38Å; N295-K297 PolarHBondContact OD1-N 2.91Å; N295-T298 WeakPolarHBondContact CB-OG1 3.44Å; N295-T298 PolarHBondContact O-N 3.37Å; N295-T298 PolarHBondContact OD1-N 3.01Å; N295-K299 WeakPolarHBondContact O-CA 3.24Å; N295-K299 PolarHBondContact O-N 2.96Å; N295-Q300 PolarHBondContact N-O 3.34Å
296	Q	86.9	Confident	89.8	Confident	125 Å²	125	78.7 Å²	78.7	58%	0.584	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-29	-180	-59.3	-171.5	2.9	0	0	114.2	N291 Y294	N291-Q296 PolarHBondContact OD1-NE2 3.28Å; Y294-Q296 PolarHBondContact O-N 2.95Å
297	K	89.2	Confident	89.9	Confident	199 Å²	199	77.6 Å²	77.6	87%	0.865	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-39.5	-178.7	-61.2	-175	179.9	-178.1	0	112.6	N295	N295-K297 PolarHBondContact O-N 3.41Å; N295-K297 VanDerWaalsContact O-N 3.09Å; N295-K297 WeakPolarHBondContact OD1-CB 3.38Å; N295-K297 PolarHBondContact OD1-N 2.91Å
298	T	90.4	Very high	90	Very high	73 Å²	73	78.3 Å²	78.3	45%	0.448	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.2	178.6	60.5	0	0	0	0	113.1	N295 Q300	N295-T298 WeakPolarHBondContact CB-OG1 3.44Å; N295-T298 PolarHBondContact O-N 3.37Å; N295-T298 PolarHBondContact OD1-N 3.01Å; T298-Q300 PolarHBondContact O-N 3.46Å
299	K	89.3	Confident	90.2	Very high	161 Å²	161	79.2 Å²	79.2	70%	0.7	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	34.3	-173	-61.8	-173.6	177.5	-176	0	113.5	Y294 N295	Y294-K299 VanDerWaalsContact OH-CA 3.26Å; Y294-K299 WeakPolarHBondContact OH-CA 3.45Å; Y294-K299 WeakPolarHBondContact OH-CB 3.47Å; Y294-K299 PolarHBondContact OH-O 3.34Å; N295-K299 WeakPolarHBondContact O-CA 3.24Å; N295-K299 PolarHBondContact O-N 2.96Å
300	Q	90.3	Very high	90.5	Very high	130 Å²	130	81.4 Å²	81.4	61%	0.607	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.1	-176.2	-70.9	171.5	3.9	0	0	111.7	N295 T298	N295-Q300 PolarHBondContact N-O 3.34Å; T298-Q300 PolarHBondContact O-N 3.46Å
301	F	91.5	Very high	90.7	Very high	49 Å²	49	83.2 Å²	83.2	22%	0.215	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	151.1	168.6	-70	-85.6	0	0	0	111.7	I284 L287 A288 V293 Y294 L366	I284-F301 HydrophobicContact CG2-CE2 3.89Å; I284-F301 HydrophobicContact CG2-CZ 4.09Å; L287-F301 HydrophobicContact CB-CE1 4.12Å; L287-F301 HydrophobicContact CB-CZ 4.38Å; A288-F301 HydrophobicContact CB-CZ 4.36Å; V293-F301 HydrophobicContact CB-CD1 4.48Å; V293-F301 HydrophobicContact CG2-CD1 4.2Å; V293-F301 HydrophobicContact CG2-CE1 4.39Å; V293-F301 CarbonylContact O-C 3.44Å; V293-F301 VanDerWaalsContact O-CA 3.24Å; V293-F301 WeakPolarHBondContact O-CA 3.46Å; Y294-F301 AromaticContact CD2-CD1 3.93Å; Y294-F301 HydrophobicContact CD2-CD1 3.93Å; Y294-F301 AromaticContact CD2-CD2 3.82Å; Y294-F301 HydrophobicContact CD2-CD2 3.82Å; Y294-F301 AromaticContact CD2-CE1 3.79Å; Y294-F301 HydrophobicContact CD2-CE1 3.79Å; Y294-F301 AromaticContact CD2-CE2 3.67Å; Y294-F301 HydrophobicContact CD2-CE2 3.67Å; Y294-F301 AromaticContact CD2-CG 3.94Å; Y294-F301 HydrophobicContact CD2-CG 3.94Å; Y294-F301 AromaticContact CD2-CZ 3.66Å; Y294-F301 HydrophobicContact CD2-CZ 3.66Å; Y294-F301 HydrophobicContact CE2-CD2 4.2Å; Y294-F301 AromaticContact CE2-CE2 3.96Å; Y294-F301 HydrophobicContact CE2-CE2 3.96Å; Y294-F301 HydrophobicContact CE2-CZ 4.28Å; Y294-F301 HydrophobicContact CG-CE1 4.27Å; Y294-F301 HydrophobicContact CG-CZ 4.41Å; F301-L366 HydrophobicContact CB-CD2 4.08Å; F301-L366 HydrophobicContact CD1-CD1 4.44Å; F301-L366 HydrophobicContact CD1-CD2 4.13Å; F301-L366 HydrophobicContact CD2-CD2 3.57Å; F301-L366 HydrophobicContact CE2-CD2 4Å; F301-L366 HydrophobicContact CG-CD2 3.65Å; F301-L366 HydrophobicContact CZ-CD2 4.44Å
302	A	89.6	Confident	91	Very high	33 Å²	33	77.8 Å²	77.8	27%	0.273	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-61.4	140	173	0	0	0	0	0	111	V293 L304 W307	V293-A302 PolarHBondContact O-N 3.14Å; A302-L304 PolarHBondContact O-N 3.02Å; A302-W307 PolarHBondContact O-NE1 3.25Å
303	R	90.1	Very high	91.2	Very high	202 Å²	202	78.1 Å²	78.1	76%	0.762	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-58.3	127.7	-178.5	-65.7	-177.9	177.7	-179.1	-1.3	111	P305 L306	R303-P305 VanDerWaalsContact C-CD 3.42Å; R303-P305 VanDerWaalsContact O-N 3.13Å; R303-L306 HydrophobicContact CB-CD1 4.14Å; R303-L306 HydrophobicContact CB-CG 4.33Å; R303-L306 WeakPolarHBondContact O-CB 3.39Å; R303-L306 PolarHBondContact O-N 3.5Å
304	L	88.7	Confident	91.3	Very high	47 Å²	47	79.5 Å²	79.5	25%	0.246	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-48.8	-41.9	-171.8	-71.6	72.2	0	0	0	115.1	A302 L306 W307 L366 G367 F368	A302-L304 PolarHBondContact O-N 3.02Å; L304-L306 PolarHBondContact O-N 3Å; L304-L306 VanDerWaalsContact O-N 3.07Å; L304-W307 PolarHBondContact O-N 3.49Å; L304-L366 WeakPolarHBondContact CD2-O 3.22Å; L304-G367 VanDerWaalsContact CD2-O 3.24Å; L304-G367 WeakPolarHBondContact CD2-O 3.14Å; L304-F368 HydrophobicContact CB-CE1 3.85Å; L304-F368 HydrophobicContact CB-CE2 4.41Å; L304-F368 HydrophobicContact CB-CZ 3.75Å; L304-F368 HydrophobicContact CD2-CD1 4Å; L304-F368 HydrophobicContact CD2-CD2 3.88Å; L304-F368 HydrophobicContact CD2-CE1 4Å; L304-F368 HydrophobicContact CD2-CE2 3.89Å; L304-F368 HydrophobicContact CD2-CG 3.94Å; L304-F368 HydrophobicContact CD2-CZ 3.95Å; L304-F368 HydrophobicContact CG-CD1 4.48Å; L304-F368 HydrophobicContact CG-CD2 4.23Å; L304-F368 HydrophobicContact CG-CE1 3.98Å; L304-F368 HydrophobicContact CG-CE2 3.71Å; L304-F368 HydrophobicContact CG-CZ 3.57Å
305	P	89.8	Confident	91.3	Very high	86 Å²	86	77.4 Å²	77.4	56%	0.558	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-63.8	-14.3	179.6	-24	35.9	0	0	0	115.2	R303	R303-P305 VanDerWaalsContact C-CD 3.42Å; R303-P305 VanDerWaalsContact O-N 3.13Å
306	L	91.2	Very high	91.4	Very high	106 Å²	106	73.8 Å²	73.8	56%	0.555	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-85.2	-22.6	-179.5	-57.7	178.3	0	0	0	113.2	R303 L304 S308 K446	R303-L306 HydrophobicContact CB-CD1 4.14Å; R303-L306 HydrophobicContact CB-CG 4.33Å; R303-L306 WeakPolarHBondContact O-CB 3.39Å; R303-L306 PolarHBondContact O-N 3.5Å; L304-L306 PolarHBondContact O-N 3Å; L304-L306 VanDerWaalsContact O-N 3.07Å; L306-S308 PolarHBondContact O-N 2.87Å; L306-K446 PolarHBondContact O-NZ 3.32Å
307	W	94.1	Very high	91.6	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.353	C	S	.	.			trans	-60.9	130.7	-170.8	-72.3	46.4	0	0	0	111.5	V293 A302 L304 H311 V312 L363 L366 F368 L444 K446	V293-W307 HydrophobicContact CB-CH2 3.87Å; V293-W307 HydrophobicContact CB-CZ2 3.69Å; V293-W307 HydrophobicContact CG1-CD2 4Å; V293-W307 HydrophobicContact CG1-CE3 4Å; V293-W307 HydrophobicContact CG1-CH2 3.61Å; V293-W307 HydrophobicContact CG1-CZ2 3.6Å; V293-W307 HydrophobicContact CG1-CZ3 3.81Å; V293-W307 HydrophobicContact CG2-CH2 4.03Å; V293-W307 HydrophobicContact CG2-CZ2 4.27Å; A302-W307 PolarHBondContact O-NE1 3.25Å; L304-W307 PolarHBondContact O-N 3.49Å; W307-H311 HydrophobicContact CB-CB 4.29Å; W307-H311 HydrophobicContact CD2-CB 4.19Å; W307-H311 HydrophobicContact CE3-CB 3.99Å; W307-H311 HydrophobicContact CG-CB 4.33Å; W307-V312 HydrophobicContact CE3-CG2 4.33Å; W307-L363 HydrophobicContact CH2-CD2 4.21Å; W307-L363 HydrophobicContact CZ3-CD2 3.82Å; W307-L366 HydrophobicContact CH2-CD1 3.68Å; W307-L366 HydrophobicContact CZ2-CD1 3.9Å; W307-F368 HydrophobicContact CB-CZ 4.3Å; W307-F368 AromaticContact CD2-CE2 3.97Å; W307-F368 HydrophobicContact CD2-CE2 3.97Å; W307-F368 AromaticContact CD2-CZ 3.59Å; W307-F368 HydrophobicContact CD2-CZ 3.59Å; W307-F368 AromaticContact CE2-CE2 3.99Å; W307-F368 AromaticContact CE2-CZ 3.9Å; W307-F368 AromaticContact CE3-CE2 3.98Å; W307-F368 HydrophobicContact CE3-CE2 3.98Å; W307-F368 AromaticContact CE3-CZ 3.85Å; W307-F368 HydrophobicContact CE3-CZ 3.85Å; W307-F368 AromaticContact CG-CZ 3.81Å; W307-F368 HydrophobicContact CG-CZ 3.81Å; W307-F368 HydrophobicContact CH2-CE2 4.07Å; W307-F368 HydrophobicContact CZ2-CE2 4.05Å; W307-F368 HydrophobicContact CZ2-CZ 4.43Å; W307-F368 HydrophobicContact CZ3-CE2 4.03Å; W307-F368 HydrophobicContact CZ3-CZ 4.38Å; W307-L444 HydrophobicContact CB-CD2 4.48Å; W307-K446 WeakPolarHBondContact O-CD 3.5Å
308	S	93.6	Very high	91.7	Very high	16 Å²	16	63 Å²	63	11%	0.112	32%	0.321	C	S	.	.			trans	-101.1	175.8	168	60	0	0	0	0	110.8	L306 E310 H311	L306-S308 PolarHBondContact O-N 2.87Å; S308-E310 VanDerWaalsContact CB-OE2 3.24Å; S308-E310 WeakPolarHBondContact CB-OE2 3.34Å; S308-E310 PolarHBondContact O-N 3.31Å; S308-E310 PolarHBondContact OG-OE2 3.48Å; S308-H311 PolarHBondContact N-ND1 2.95Å; S308-H311 WeakPolarHBondContact O-CB 3.39Å; S308-H311 PolarHBondContact O-N 2.78Å; S308-H311 VanDerWaalsContact O-N 3.11Å; S308-H311 PolarHBondContact OG-CE1 2.86Å; S308-H311 PolarHBondContact OG-ND1 2.79Å
309	I	93.3	Very high	91.6	Very high	41 Å²	41	59.7 Å²	59.7	21%	0.21	30%	0.3	C	S	.	.	H	α-helix	trans	-51.5	-42.5	170.8	-69.1	160.7	0	0	0	110.8	H311 V312 E313 L444 L447 V462 D463	I309-H311 PolarHBondContact O-N 3.31Å; I309-V312 CarbonylContact O-C 3.53Å; I309-V312 WeakPolarHBondContact O-CA 3.37Å; I309-V312 WeakPolarHBondContact O-CB 3.47Å; I309-V312 PolarHBondContact O-N 3.45Å; I309-E313 HydrophobicContact CG2-CG 4.07Å; I309-E313 PolarHBondContact O-N 2.9Å; I309-L444 HydrophobicContact CG1-CD1 4.28Å; I309-L447 HydrophobicContact CD1-CD1 4Å; I309-L447 HydrophobicContact CG1-CD1 4.14Å; I309-V462 HydrophobicContact CG2-CB 4.05Å; I309-V462 HydrophobicContact CG2-CG1 3.85Å; I309-D463 HydrophobicContact CD1-CB 3.8Å; I309-D463 WeakPolarHBondContact CD1-OD2 3.49Å; I309-D463 HydrophobicContact CG1-CB 4.23Å; I309-D463 HydrophobicContact CG2-CB 4.38Å
310	E	92.6	Very high	91.6	Very high	135 Å²	135	52.6 Å²	52.6	63%	0.631	27%	0.27	S	S	*	.	H	α-helix	trans	-58.2	-33.2	180	-53.9	142.3	134.8	0	0	113	S308 V312 A314	S308-E310 VanDerWaalsContact CB-OE2 3.24Å; S308-E310 WeakPolarHBondContact CB-OE2 3.34Å; S308-E310 PolarHBondContact O-N 3.31Å; S308-E310 PolarHBondContact OG-OE2 3.48Å; E310-V312 VanDerWaalsContact C-N 3.35Å; E310-A314 WeakPolarHBondContact O-CB 3.46Å; E310-A314 PolarHBondContact O-N 3.24Å
311	H	93.9	Very high	91.4	Very high	47 Å²	47	50.5 Å²	50.5	22%	0.218	27%	0.269	C	S	.	.	H	α-helix	trans	-70.8	-34.9	177.3	-65.6	65.5	0	0	0	111	V293 W307 S308 I309 C315	V293-H311 HydrophobicContact CG1-CB 3.71Å; W307-H311 HydrophobicContact CB-CB 4.29Å; W307-H311 HydrophobicContact CD2-CB 4.19Å; W307-H311 HydrophobicContact CE3-CB 3.99Å; W307-H311 HydrophobicContact CG-CB 4.33Å; S308-H311 PolarHBondContact N-ND1 2.95Å; S308-H311 WeakPolarHBondContact O-CB 3.39Å; S308-H311 PolarHBondContact O-N 2.78Å; S308-H311 VanDerWaalsContact O-N 3.11Å; S308-H311 PolarHBondContact OG-CE1 2.86Å; S308-H311 PolarHBondContact OG-ND1 2.79Å; I309-H311 PolarHBondContact O-N 3.31Å; H311-C315 PolarHBondContact O-N 3.31Å; H311-C315 PolarHBondContact O-SG 2.99Å
312	V	93.5	Very high	91	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-75.4	-40.4	177.2	-173.4	0	0	0	0	110.6	W307 I309 E310 A314 C315 L316 L442 L444 I453 V462	W307-V312 HydrophobicContact CE3-CG2 4.33Å; I309-V312 CarbonylContact O-C 3.53Å; I309-V312 WeakPolarHBondContact O-CA 3.37Å; I309-V312 WeakPolarHBondContact O-CB 3.47Å; I309-V312 PolarHBondContact O-N 3.45Å; E310-V312 VanDerWaalsContact C-N 3.35Å; V312-A314 VanDerWaalsContact C-N 3.34Å; V312-A314 PolarHBondContact O-N 2.91Å; V312-C315 WeakPolarHBondContact O-CB 3.41Å; V312-C315 PolarHBondContact O-N 3.13Å; V312-L316 WeakPolarHBondContact O-CB 3.45Å; V312-L316 PolarHBondContact O-N 2.86Å; V312-L442 HydrophobicContact CB-CD2 4.38Å; V312-L442 HydrophobicContact CG1-CD2 3.86Å; V312-L442 HydrophobicContact CG2-CD2 3.51Å; V312-L444 HydrophobicContact CG2-CD1 4.36Å; V312-L444 HydrophobicContact CG2-CD2 4.09Å; V312-I453 HydrophobicContact CG1-CD1 3.51Å; V312-I453 HydrophobicContact CG1-CG1 3.9Å; V312-V462 HydrophobicContact CB-CG1 4.23Å; V312-V462 HydrophobicContact CB-CG2 4.47Å; V312-V462 HydrophobicContact CG1-CG1 4.05Å; V312-V462 HydrophobicContact CG1-CG2 4.08Å
313	E	93	Very high	90.6	Very high	63 Å²	63	53.5 Å²	53.5	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-58.7	-44.8	172.3	-70.3	176.2	141.3	0	0	110.8	I309 C315 L316 V317 V462	I309-E313 HydrophobicContact CG2-CG 4.07Å; I309-E313 PolarHBondContact O-N 2.9Å; E313-C315 VanDerWaalsContact C-N 3.35Å; E313-C315 PolarHBondContact O-N 2.83Å; E313-L316 PolarHBondContact O-N 3.11Å; E313-V317 WeakPolarHBondContact O-CB 3.46Å; E313-V317 WeakPolarHBondContact O-CG2 3.31Å; E313-V317 PolarHBondContact O-N 2.9Å; E313-V462 HydrophobicContact CB-CG2 4.36Å; E313-V462 HydrophobicContact CG-CB 3.6Å; E313-V462 HydrophobicContact CG-CG2 3.53Å
314	A	92.8	Very high	89.6	Confident	32 Å²	32	44.4 Å²	44.4	26%	0.264	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-37.5	175.1	0	0	0	0	0	113.3	A292 E310 V312 S318	A292-A314 HydrophobicContact CB-CB 3.72Å; E310-A314 WeakPolarHBondContact O-CB 3.46Å; E310-A314 PolarHBondContact O-N 3.24Å; V312-A314 VanDerWaalsContact C-N 3.34Å; V312-A314 PolarHBondContact O-N 2.91Å; A314-S318 WeakPolarHBondContact O-CB 3.2Å; A314-S318 PolarHBondContact O-N 3.42Å
315	C	93.5	Very high	88.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-42.9	173.8	-68.2	0	0	0	0	112.1	L287 H311 V312 E313 L319 L359	L287-C315 HydrophobicContact CD2-CB 3.71Å; H311-C315 PolarHBondContact O-N 3.31Å; H311-C315 PolarHBondContact O-SG 2.99Å; V312-C315 WeakPolarHBondContact O-CB 3.41Å; V312-C315 PolarHBondContact O-N 3.13Å; E313-C315 VanDerWaalsContact C-N 3.35Å; E313-C315 PolarHBondContact O-N 2.83Å; C315-L319 PolarHBondContact O-N 3.09Å; C315-L359 HydrophobicContact CB-CD1 3.86Å
316	L	92.8	Very high	86.8	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-52.5	-179.6	-179.2	62.9	0	0	0	111.5	V312 E313 S318 L319 L320 L359 I453 V462	V312-L316 WeakPolarHBondContact O-CB 3.45Å; V312-L316 PolarHBondContact O-N 2.86Å; E313-L316 PolarHBondContact O-N 3.11Å; L316-S318 VanDerWaalsContact C-N 3.26Å; L316-S318 PolarHBondContact O-N 2.86Å; L316-L319 PolarHBondContact O-N 2.85Å; L316-L320 HydrophobicContact CD1-CD1 3.95Å; L316-L320 HydrophobicContact CD1-CG 4.21Å; L316-L320 HydrophobicContact CG-CD1 3.89Å; L316-L320 HydrophobicContact CG-CG 4.48Å; L316-L320 WeakPolarHBondContact O-CG 3.25Å; L316-L320 PolarHBondContact O-N 2.99Å; L316-L359 HydrophobicContact CB-CD2 4.21Å; L316-L359 HydrophobicContact CD1-CD2 3.68Å; L316-I453 HydrophobicContact CD1-CG2 3.96Å; L316-I453 HydrophobicContact CD2-CG2 3.95Å; L316-I453 HydrophobicContact CG-CG2 4.45Å; L316-V462 HydrophobicContact CD2-CG2 3.92Å
317	V	91.2	Very high	84.9	Confident	73 Å²	73	56.1 Å²	56.1	44%	0.442	30%	0.295	S	S	.	.	H	α-helix	trans	-57.7	-39.2	179.3	170.9	0	0	0	0	111.6	E313 L319 S321 T459	E313-V317 WeakPolarHBondContact O-CB 3.46Å; E313-V317 WeakPolarHBondContact O-CG2 3.31Å; E313-V317 PolarHBondContact O-N 2.9Å; V317-L319 VanDerWaalsContact C-N 3.33Å; V317-L319 PolarHBondContact O-N 3.04Å; V317-S321 PolarHBondContact O-N 2.9Å; V317-T459 WeakPolarHBondContact CG2-O 3.08Å
318	S	89.8	Confident	82.5	Confident	26 Å²	26	58.8 Å²	58.8	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-77.4	-12.1	179	-170.5	0	0	0	0	115	T290 A314 L316 S321 Y322	T290-S318 VanDerWaalsContact CG2-OG 3.27Å; T290-S318 WeakPolarHBondContact CG2-OG 3.13Å; A314-S318 WeakPolarHBondContact O-CB 3.2Å; A314-S318 PolarHBondContact O-N 3.42Å; L316-S318 VanDerWaalsContact C-N 3.26Å; L316-S318 PolarHBondContact O-N 2.86Å; S318-S321 PolarHBondContact O-OG 3.05Å; S318-Y322 VanDerWaalsContact O-CD2 3.29Å; S318-Y322 WeakPolarHBondContact O-CD2 3.47Å; S318-Y322 WeakPolarHBondContact O-CE2 3.49Å
319	L	89.6	Confident	80.3	Confident	2 Å²	2	64 Å²	64	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-94.2	-36.1	169.8	-82.6	170.1	0	0	0	111.2	L286 L287 C315 L316 V317 S321 Y322 C355 L358 L359	L286-L319 HydrophobicContact CB-CD2 3.56Å; L286-L319 HydrophobicContact CD1-CD2 3.62Å; L286-L319 HydrophobicContact CG-CD2 4.22Å; L287-L319 HydrophobicContact CD2-CD1 3.64Å; L287-L319 HydrophobicContact CD2-CG 4.06Å; L287-L319 HydrophobicContact CG-CD1 4.29Å; C315-L319 PolarHBondContact O-N 3.09Å; L316-L319 PolarHBondContact O-N 2.85Å; V317-L319 VanDerWaalsContact C-N 3.33Å; V317-L319 PolarHBondContact O-N 3.04Å; L319-S321 PolarHBondContact O-N 2.9Å; L319-Y322 PolarHBondContact O-N 3.01Å; L319-Y322 VanDerWaalsContact O-N 3.12Å; L319-C355 HydrophobicContact CB-CB 4.45Å; L319-C355 PolarHBondContact O-SG 2.68Å; L319-L358 HydrophobicContact CD2-CB 4.45Å; L319-L359 VanDerWaalsContact CD1-CA 3.49Å; L319-L359 HydrophobicContact CD1-CB 3.52Å; L319-L359 HydrophobicContact CD1-CD1 3.87Å; L319-L359 HydrophobicContact CD1-CG 4.24Å
320	L	88.6	Confident	78	Confident	12 Å²	12	68.7 Å²	68.7	6%	0.063	37%	0.366	C	S	.	.	H	α-helix	trans	-65.7	-22.4	171.3	-66.8	174.7	0	0	0	112.7	L316 Y322 Q323 E352 C355 P455 T459	L316-L320 HydrophobicContact CD1-CD1 3.95Å; L316-L320 HydrophobicContact CD1-CG 4.21Å; L316-L320 HydrophobicContact CG-CD1 3.89Å; L316-L320 HydrophobicContact CG-CG 4.48Å; L316-L320 WeakPolarHBondContact O-CG 3.25Å; L316-L320 PolarHBondContact O-N 2.99Å; L320-Y322 PolarHBondContact O-N 3.32Å; L320-Y322 VanDerWaalsContact O-N 3.12Å; L320-Q323 WeakPolarHBondContact O-CB 3.5Å; L320-Q323 PolarHBondContact O-N 2.84Å; L320-E352 HydrophobicContact CD2-CG 4.18Å; L320-C355 HydrophobicContact CD2-CB 4.09Å; L320-P455 WeakPolarHBondContact CD1-O 3.11Å; L320-P455 HydrophobicContact CD2-CB 4.28Å; L320-T459 VanDerWaalsContact CD1-C 3.43Å; L320-T459 WeakPolarHBondContact CD1-O 3.35Å
321	S	86.6	Confident	75.9	Confident	86 Å²	86	71.6 Å²	71.6	60%	0.601	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.6	170.7	63.4	0	0	0	0	114.8	V317 S318 L319	V317-S321 PolarHBondContact O-N 2.9Å; S318-S321 PolarHBondContact O-OG 3.05Å; L319-S321 PolarHBondContact O-N 2.9Å
322	Y	83.4	Confident	73.4	Confident	83 Å²	83	77.2 Å²	77.2	33%	0.325	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	8	170.9	-62.9	-85.5	0	0	0	113.2	L286 N289 S318 L319 L320 S350	L286-Y322 HydrophobicContact CD2-CD2 4.36Å; L286-Y322 HydrophobicContact CD2-CE1 4.1Å; L286-Y322 HydrophobicContact CD2-CE2 3.88Å; N289-Y322 PolarHBondContact ND2-OH 3.14Å; S318-Y322 VanDerWaalsContact O-CD2 3.29Å; S318-Y322 WeakPolarHBondContact O-CD2 3.47Å; S318-Y322 WeakPolarHBondContact O-CE2 3.49Å; L319-Y322 PolarHBondContact O-N 3.01Å; L319-Y322 VanDerWaalsContact O-N 3.12Å; L320-Y322 PolarHBondContact O-N 3.32Å; L320-Y322 VanDerWaalsContact O-N 3.12Å; Y322-S350 VanDerWaalsContact O-CB 3.24Å; Y322-S350 WeakPolarHBondContact O-CB 3.44Å; Y322-S350 PolarHBondContact O-OG 2.79Å
323	Q	79.5	Confident	71.1	Confident	62 Å²	62	80.7 Å²	80.7	29%	0.29	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-67.6	134.8	175.9	179.7	174.7	-8.7	0	0	111.3	L320 S350 E352	L320-Q323 WeakPolarHBondContact O-CB 3.5Å; L320-Q323 PolarHBondContact O-N 2.84Å; Q323-S350 WeakPolarHBondContact CA-O 3.25Å; Q323-E352 PolarHBondContact NE2-OE1 3.24Å
324	G	70.2	Confident	69	Low	12 Å²	12	84.5 Å²	84.5	12%	0.124	47%	0.465	C	S	.	.			trans	-77.6	134.3	173.1	0	0	0	0	0	112.2	Q326 S348 S350	G324-Q326 PolarHBondContact O-N 3.01Å; G324-S348 WeakPolarHBondContact CA-O 3.44Å; G324-S350 PolarHBondContact N-O 2.91Å
325	I	62.5	Low	67.4	Low	178 Å²	178	85.4 Å²	85.4	91%	0.913	48%	0.477	S	S	*	.	S	Bend	trans	-68	-21.6	174.3	-60.7	174	0	0	0	111.2
326	Q	56.1	Low	66.6	Low	150 Å²	150	90.2 Å²	90.2	70%	0.701	50%	0.502	S	S	*	.	S	Bend	trans	-104.9	104.5	-170.5	-161.4	167.2	19.4	0	0	111.9	G324 C328	G324-Q326 PolarHBondContact O-N 3.01Å; Q326-C328 PolarHBondContact O-N 3.24Å; Q326-C328 PolarHBondContact O-SG 2.97Å
327	I	52	Low	66	Low	156 Å²	156	92.7 Å²	92.7	80%	0.8	51%	0.512	S	S	*	.			trans	-64.3	107.1	173.4	-57.3	173.9	0	0	0	108.7	T329	I327-T329 HydrophobicContact CG2-CG2 4.35Å; I327-T329 PolarHBondContact O-N 3.12Å
328	C	44.6	Very low	65.6	Low	56 Å²	56	91.4 Å²	91.4	38%	0.378	50%	0.501	S	S	.	.			trans	-83.3	99	-178	-65.6	0	0	0	0	110.5	Q326 E330 K349	Q326-C328 PolarHBondContact O-N 3.24Å; Q326-C328 PolarHBondContact O-SG 2.97Å; C328-E330 PolarHBondContact O-N 3.48Å; C328-K349 VanDerWaalsContact SG-CD 3.52Å
329	T	47	Very low	65.4	Low	127 Å²	127	97.6 Å²	97.6	78%	0.779	52%	0.522	S	S	*	.			trans	-79.5	38.6	179.1	47.6	0	0	0	0	113.2	I327 K331	I327-T329 HydrophobicContact CG2-CG2 4.35Å; I327-T329 PolarHBondContact O-N 3.12Å; T329-K331 PolarHBondContact O-N 3.02Å; T329-K331 VanDerWaalsContact O-N 3.15Å
330	E	45.1	Very low	65.1	Low	139 Å²	139	99.4 Å²	99.4	65%	0.65	53%	0.53	S	S	*	.			trans	-74.1	103.8	179.2	-71.7	-178.5	-153.9	0	0	110.8	C328	C328-E330 PolarHBondContact O-N 3.48Å
331	K	48.8	Very low	64.9	Low	195 Å²	195	98.9 Å²	98.9	85%	0.848	53%	0.527	S	S	*	.			trans	-70.5	129	173.7	-66	-177.2	177.5	-176.9	0	110.1	T329	T329-K331 PolarHBondContact O-N 3.02Å; T329-K331 VanDerWaalsContact O-N 3.15Å
332	N	41.2	Very low	64.9	Low	166 Å²	166	96.3 Å²	96.3	89%	0.888	51%	0.508	S	S	*	.			trans	60	73.4	168.1	-61.3	-6.7	0	0	0	116.8
333	S	45.6	Very low	65	Low	72 Å²	72	96.2 Å²	96.2	50%	0.503	51%	0.51	S	S	.	.			trans	-94.1	116.4	146.9	54.3	0	0	0	0	109.8	Q340	S333-Q340 PolarHBondContact O-NE2 3.01Å; S333-Q340 PolarHBondContact OG-NE2 3.23Å
334	C	47.7	Very low	65.4	Low	144 Å²	144	95.9 Å²	95.9	97%	0.973	51%	0.506	S	S	*	.			trans	-83.6	122.7	170	-174.2	0	0	0	0	108.5
335	G	59.9	Low	66.2	Low	51 Å²	51	96.8 Å²	96.8	53%	0.526	51%	0.508	S	S	.	.	S	Bend	trans	177.7	176.6	-179.3	0	0	0	0	0	112.4
336	D	76.3	Confident	67.3	Low	100 Å²	100	94.9 Å²	94.9	54%	0.535	50%	0.499	S	S	.	.			trans	-66.3	131.6	174.5	-166.8	-28.3	0	0	0	110.3	E338 Y339 Q340	D336-E338 PolarHBondContact O-N 2.94Å; D336-E338 PolarHBondContact OD1-N 2.99Å; D336-Y339 PolarHBondContact O-N 3.16Å; D336-Y339 VanDerWaalsContact O-N 3.16Å; D336-Q340 WeakPolarHBondContact O-CG 3.33Å; D336-Q340 PolarHBondContact O-N 2.73Å
337	Y	79.7	Confident	68.7	Low	56 Å²	56	91.9 Å²	91.9	22%	0.22	49%	0.485	C	S	.	.	H	α-helix	trans	-61.6	-33	179.1	-173.3	-94.9	0	0	0	111.8	T273 Q340 L341 I357	T273-Y337 HydrophobicContact CG2-CD1 3.79Å; T273-Y337 HydrophobicContact CG2-CE1 3.95Å; T273-Y337 WeakPolarHBondContact OG1-CD1 3.48Å; Y337-Q340 PolarHBondContact O-N 2.69Å; Y337-L341 WeakPolarHBondContact O-CB 3.48Å; Y337-L341 PolarHBondContact O-N 3.49Å; Y337-I357 HydrophobicContact CE1-CD1 3.99Å; Y337-I357 WeakPolarHBondContact OH-CD1 3.38Å
338	E	83.6	Confident	70.2	Confident	46 Å²	46	88.7 Å²	88.7	22%	0.215	48%	0.477	C	S	.	.	H	α-helix	trans	-64.9	-45.3	174	-68.8	-174.6	-150.7	0	0	111.7	T273 S276 D336 Q340 L341 V342	T273-E338 HydrophobicContact CG2-CG 4.12Å; S276-E338 VanDerWaalsContact CB-CD 3.41Å; S276-E338 VanDerWaalsContact CB-OE1 3.24Å; S276-E338 WeakPolarHBondContact CB-OE1 3.43Å; S276-E338 WeakPolarHBondContact CB-OE2 3.42Å; S276-E338 VanDerWaalsContact OG-CD 3.24Å; S276-E338 PolarHBondContact OG-OE1 3.16Å; S276-E338 PolarHBondContact OG-OE2 3.43Å; D336-E338 PolarHBondContact O-N 2.94Å; D336-E338 PolarHBondContact OD1-N 2.99Å; E338-Q340 PolarHBondContact O-N 3.15Å; E338-L341 PolarHBondContact O-N 3.49Å; E338-V342 WeakPolarHBondContact O-CG2 3.49Å; E338-V342 PolarHBondContact O-N 2.72Å
339	Y	84.4	Confident	72.1	Confident	156 Å²	156	88.3 Å²	88.3	61%	0.612	47%	0.469	S	S	*	.	H	α-helix	trans	-62	-43.7	176.9	178.7	-92.8	0	0	0	111.4	D336 V342 H343	D336-Y339 PolarHBondContact O-N 3.16Å; D336-Y339 VanDerWaalsContact O-N 3.16Å; Y339-V342 PolarHBondContact O-N 3.39Å; Y339-H343 WeakPolarHBondContact O-CB 3.4Å; Y339-H343 PolarHBondContact O-N 3.06Å
340	Q	83.5	Confident	73.9	Confident	41 Å²	41	82.4 Å²	82.4	19%	0.192	43%	0.432	C	S	.	.	H	α-helix	trans	-65	-39.1	178.2	-66.5	-175	5	0	0	112.9	S333 D336 Y337 E338 H343 R344	S333-Q340 PolarHBondContact O-NE2 3.01Å; S333-Q340 PolarHBondContact OG-NE2 3.23Å; D336-Q340 WeakPolarHBondContact O-CG 3.33Å; D336-Q340 PolarHBondContact O-N 2.73Å; Y337-Q340 PolarHBondContact O-N 2.69Å; E338-Q340 PolarHBondContact O-N 3.15Å; Q340-H343 PolarHBondContact O-N 3.37Å; Q340-R344 WeakPolarHBondContact O-CG 3.49Å; Q340-R344 PolarHBondContact O-N 3.18Å
341	L	86.2	Confident	76	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.005	42%	0.422	C	S	.	.	H	α-helix	trans	-62.6	-44	175.2	-178.5	153.8	0	0	0	110.9	T273 Y337 E338 R344 L345 D354 I357 L358	T273-L341 HydrophobicContact CG2-CD1 4.43Å; Y337-L341 WeakPolarHBondContact O-CB 3.48Å; Y337-L341 PolarHBondContact O-N 3.49Å; E338-L341 PolarHBondContact O-N 3.49Å; L341-R344 PolarHBondContact O-N 2.97Å; L341-L345 WeakPolarHBondContact O-CB 3.42Å; L341-L345 PolarHBondContact O-N 2.78Å; L341-D354 HydrophobicContact CD1-CB 4.29Å; L341-D354 HydrophobicContact CG-CB 4.16Å; L341-D354 WeakPolarHBondContact CG-OD1 3.41Å; L341-I357 HydrophobicContact CD1-CB 4.16Å; L341-I357 HydrophobicContact CD1-CD1 4.4Å; L341-I357 HydrophobicContact CD1-CG2 3.72Å; L341-L358 HydrophobicContact CD2-CD1 4.2Å; L341-L358 HydrophobicContact CD2-CD2 4.06Å; L341-L358 HydrophobicContact CD2-CG 4.14Å
342	V	85.3	Confident	77.8	Confident	31 Å²	31	72.5 Å²	72.5	19%	0.188	39%	0.394	C	S	.	.	H	α-helix	trans	-65.3	-38.9	175.9	174.9	0	0	0	0	111.7	L278 L282 E338 Y339 L345 L346	L278-V342 HydrophobicContact CD2-CG2 4.04Å; L278-V342 HydrophobicContact CG-CG2 4.35Å; L282-V342 HydrophobicContact CD1-CG2 3.59Å; E338-V342 WeakPolarHBondContact O-CG2 3.49Å; E338-V342 PolarHBondContact O-N 2.72Å; Y339-V342 PolarHBondContact O-N 3.39Å; V342-L345 PolarHBondContact O-N 2.73Å; V342-L346 HydrophobicContact CG1-CD1 3.93Å; V342-L346 HydrophobicContact CG1-CG 4.37Å; V342-L346 WeakPolarHBondContact O-CG 3.27Å; V342-L346 PolarHBondContact O-N 3.21Å
343	H	86.2	Confident	80.1	Confident	82 Å²	82	65.1 Å²	65.1	38%	0.38	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-48	175.2	-160.3	-80	0	0	0	111.7	Y339 Q340 L345 L346 E347	Y339-H343 WeakPolarHBondContact O-CB 3.4Å; Y339-H343 PolarHBondContact O-N 3.06Å; Q340-H343 PolarHBondContact O-N 3.37Å; H343-L345 VanDerWaalsContact C-N 3.3Å; H343-L345 PolarHBondContact O-N 2.96Å; H343-L346 PolarHBondContact O-N 3.3Å; H343-E347 IonicContact CE1-OE1 3.85Å; H343-E347 IonicContact CE1-OE2 2.84Å; H343-E347 PolarHBondContact CE1-OE2 3.04Å; H343-E347 IonicContact ND1-OE2 3.76Å; H343-E347 PolarHBondContact ND1-OE2 3.4Å; H343-E347 WeakPolarHBondContact O-CG 3.36Å; H343-E347 PolarHBondContact O-N 2.92Å
344	R	87.9	Confident	82.3	Confident	55 Å²	55	61.8 Å²	61.8	21%	0.208	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-41.1	175.3	-74.6	-169.9	-64.7	-84.8	-1	111.9	Q340 L341 S348 K349 S350 D354	Q340-R344 WeakPolarHBondContact O-CG 3.49Å; Q340-R344 PolarHBondContact O-N 3.18Å; L341-R344 PolarHBondContact O-N 2.97Å; R344-S348 PolarHBondContact O-N 3.08Å; R344-K349 HydrophobicContact CB-CB 4.45Å; R344-K349 CarbonylContact O-C 3.59Å; R344-K349 WeakPolarHBondContact O-CA 3.32Å; R344-K349 PolarHBondContact O-N 2.69Å; R344-S350 PolarHBondContact O-N 3.28Å; R344-D354 IonicContact CZ-OD1 3.81Å; R344-D354 IonicContact CZ-OD2 3.79Å; R344-D354 IonicContact NE-OD1 2.75Å; R344-D354 PolarHBondContact NE-OD1 3.26Å; R344-D354 IonicContact NE-OD2 3.66Å; R344-D354 PolarHBondContact NE-OD2 3.05Å; R344-D354 IonicContact NH2-OD1 3.7Å; R344-D354 PolarHBondContact NH2-OD1 3.5Å; R344-D354 IonicContact NH2-OD2 3.65Å
345	L	86.5	Confident	84.4	Confident	31 Å²	31	55.1 Å²	55.1	16%	0.162	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-45.6	177.2	-176.9	66.8	0	0	0	112.2	L286 L341 V342 H343 S348 L358	L286-L345 HydrophobicContact CD1-CD1 4.36Å; L286-L345 HydrophobicContact CD1-CD2 4.23Å; L341-L345 WeakPolarHBondContact O-CB 3.42Å; L341-L345 PolarHBondContact O-N 2.78Å; V342-L345 PolarHBondContact O-N 2.73Å; H343-L345 VanDerWaalsContact C-N 3.3Å; H343-L345 PolarHBondContact O-N 2.96Å; L345-S348 PolarHBondContact O-N 2.83Å; L345-L358 HydrophobicContact CD1-CD1 4.22Å; L345-L358 HydrophobicContact CD2-CD1 4.07Å
346	L	86.1	Confident	86	Confident	138 Å²	138	52.7 Å²	52.7	72%	0.723	26%	0.264	S	S	*	.	H	α-helix	trans	-66.7	-36.4	179.5	-71.7	171.2	0	0	0	112.7	V342 H343 S348	V342-L346 HydrophobicContact CG1-CD1 3.93Å; V342-L346 HydrophobicContact CG1-CG 4.37Å; V342-L346 WeakPolarHBondContact O-CG 3.27Å; V342-L346 PolarHBondContact O-N 3.21Å; H343-L346 PolarHBondContact O-N 3.3Å; L346-S348 VanDerWaalsContact C-N 3.26Å; L346-S348 PolarHBondContact O-N 2.96Å
347	E	85.9	Confident	86.9	Confident	86 Å²	86	48 Å²	48	40%	0.402	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1.7	177.1	-68.9	-168.9	109.3	0	0	114.2	H343 K349	H343-E347 IonicContact CE1-OE1 3.85Å; H343-E347 IonicContact CE1-OE2 2.84Å; H343-E347 PolarHBondContact CE1-OE2 3.04Å; H343-E347 IonicContact ND1-OE2 3.76Å; H343-E347 PolarHBondContact ND1-OE2 3.4Å; H343-E347 WeakPolarHBondContact O-CG 3.36Å; H343-E347 PolarHBondContact O-N 2.92Å; E347-K349 HydrophobicContact CB-CB 4.41Å; E347-K349 HydrophobicContact CB-CD 3.69Å; E347-K349 HydrophobicContact CB-CG 3.9Å; E347-K349 HydrophobicContact CG-CD 4.45Å; E347-K349 PolarHBondContact O-N 2.92Å; E347-K349 IonicContact OE1-NZ 3.23Å; E347-K349 PolarHBondContact OE1-NZ 3.13Å; E347-K349 VanDerWaalsContact OE2-CD 3.31Å; E347-K349 WeakPolarHBondContact OE2-CD 3.36Å; E347-K349 WeakPolarHBondContact OE2-CE 3.28Å; E347-K349 IonicContact OE2-NZ 3.12Å; E347-K349 PolarHBondContact OE2-NZ 2.8Å
348	S	82.2	Confident	87.6	Confident	89 Å²	89	45.3 Å²	45.3	62%	0.622	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	35.5	-171.3	-49.1	0	0	0	0	113.6	G324 R344 L345 L346	G324-S348 WeakPolarHBondContact CA-O 3.44Å; R344-S348 PolarHBondContact O-N 3.08Å; L345-S348 PolarHBondContact O-N 2.83Å; L346-S348 VanDerWaalsContact C-N 3.26Å; L346-S348 PolarHBondContact O-N 2.96Å
349	K	84.7	Confident	88.1	Confident	49 Å²	49	43.2 Å²	43.2	21%	0.213	22%	0.218	C	C	.	.			trans	-110.9	18.3	177.8	-64.2	170.4	-179.5	173.2	0	112.5	C328 R344 E347 T351	C328-K349 VanDerWaalsContact SG-CD 3.52Å; R344-K349 HydrophobicContact CB-CB 4.45Å; R344-K349 CarbonylContact O-C 3.59Å; R344-K349 WeakPolarHBondContact O-CA 3.32Å; R344-K349 PolarHBondContact O-N 2.69Å; E347-K349 HydrophobicContact CB-CB 4.41Å; E347-K349 HydrophobicContact CB-CD 3.69Å; E347-K349 HydrophobicContact CB-CG 3.9Å; E347-K349 HydrophobicContact CG-CD 4.45Å; E347-K349 PolarHBondContact O-N 2.92Å; E347-K349 IonicContact OE1-NZ 3.23Å; E347-K349 PolarHBondContact OE1-NZ 3.13Å; E347-K349 VanDerWaalsContact OE2-CD 3.31Å; E347-K349 WeakPolarHBondContact OE2-CD 3.36Å; E347-K349 WeakPolarHBondContact OE2-CE 3.28Å; E347-K349 IonicContact OE2-NZ 3.12Å; E347-K349 PolarHBondContact OE2-NZ 2.8Å; K349-T351 PolarHBondContact O-N 2.76Å
350	S	85.2	Confident	88.7	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.014	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-58.2	134.8	-178.8	-30.7	0	0	0	0	111.6	Y322 Q323 G324 R344	Y322-S350 VanDerWaalsContact O-CB 3.24Å; Y322-S350 WeakPolarHBondContact O-CB 3.44Å; Y322-S350 PolarHBondContact O-OG 2.79Å; Q323-S350 WeakPolarHBondContact CA-O 3.25Å; G324-S350 PolarHBondContact N-O 2.91Å; R344-S350 PolarHBondContact O-N 3.28Å
351	T	88.1	Confident	89.3	Confident	70 Å²	70	33.9 Å²	33.9	43%	0.429	18%	0.18	S	C	.	.			trans	-85.7	163.4	170.3	66	0	0	0	0	111.5	K349 G353 D354 C355	K349-T351 PolarHBondContact O-N 2.76Å; T351-G353 PolarHBondContact O-N 2.84Å; T351-G353 PolarHBondContact OG1-N 2.92Å; T351-D354 WeakPolarHBondContact CB-OD2 3.33Å; T351-D354 PolarHBondContact N-OD2 2.74Å; T351-D354 PolarHBondContact O-N 3.03Å; T351-D354 VanDerWaalsContact OG1-CG 3.24Å; T351-D354 PolarHBondContact OG1-N 2.9Å; T351-D354 VanDerWaalsContact OG1-N 3.13Å; T351-D354 PolarHBondContact OG1-OD2 3.2Å; T351-C355 PolarHBondContact O-N 2.75Å
352	E	87.9	Confident	89.7	Confident	57 Å²	57	33.8 Å²	33.8	27%	0.266	18%	0.18	S	C	.	.	H	α-helix	trans	-53.5	-34.6	170.7	-73.1	167.6	-144.6	0	0	111.8	L320 Q323 L356 P455 S457	L320-E352 HydrophobicContact CD2-CG 4.18Å; Q323-E352 PolarHBondContact NE2-OE1 3.24Å; E352-L356 VanDerWaalsContact O-CB 3.31Å; E352-L356 WeakPolarHBondContact O-CB 3.49Å; E352-L356 PolarHBondContact O-N 2.74Å; E352-P455 HydrophobicContact CB-CB 4.32Å; E352-S457 WeakPolarHBondContact OE1-CB 3.46Å; E352-S457 PolarHBondContact OE2-N 2.84Å
353	G	90	Very high	90.2	Very high	11 Å²	11	32.3 Å²	32.3	11%	0.113	17%	0.171	C	C	.	.	H	α-helix	trans	-67.2	-42.4	173.5	0	0	0	0	0	114	T351 L356 I357	T351-G353 PolarHBondContact O-N 2.84Å; T351-G353 PolarHBondContact OG1-N 2.92Å; G353-L356 PolarHBondContact O-N 2.89Å; G353-I357 WeakPolarHBondContact O-CB 3.5Å; G353-I357 WeakPolarHBondContact O-CD1 3.31Å; G353-I357 VanDerWaalsContact O-CG1 3.25Å; G353-I357 WeakPolarHBondContact O-CG1 3.43Å; G353-I357 PolarHBondContact O-N 3.36Å
354	D	91.3	Very high	90.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-45.8	176.2	-62.8	-60.1	0	0	0	111	L341 R344 T351 L356 I357 L358	L341-D354 HydrophobicContact CD1-CB 4.29Å; L341-D354 HydrophobicContact CG-CB 4.16Å; L341-D354 WeakPolarHBondContact CG-OD1 3.41Å; R344-D354 IonicContact CZ-OD1 3.81Å; R344-D354 IonicContact CZ-OD2 3.79Å; R344-D354 IonicContact NE-OD1 2.75Å; R344-D354 PolarHBondContact NE-OD1 3.26Å; R344-D354 IonicContact NE-OD2 3.66Å; R344-D354 PolarHBondContact NE-OD2 3.05Å; R344-D354 IonicContact NH2-OD1 3.7Å; R344-D354 PolarHBondContact NH2-OD1 3.5Å; R344-D354 IonicContact NH2-OD2 3.65Å; T351-D354 WeakPolarHBondContact CB-OD2 3.33Å; T351-D354 PolarHBondContact N-OD2 2.74Å; T351-D354 PolarHBondContact O-N 3.03Å; T351-D354 VanDerWaalsContact OG1-CG 3.24Å; T351-D354 PolarHBondContact OG1-N 2.9Å; T351-D354 VanDerWaalsContact OG1-N 3.13Å; T351-D354 PolarHBondContact OG1-OD2 3.2Å; D354-L356 VanDerWaalsContact C-N 3.34Å; D354-L356 PolarHBondContact O-N 3.17Å; D354-I357 PolarHBondContact O-N 2.74Å; D354-L358 WeakPolarHBondContact O-CG 3.21Å; D354-L358 PolarHBondContact O-N 3.25Å
355	C	91.6	Very high	90.9	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.02	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-39.1	177.4	-65.6	0	0	0	0	112.1	L319 L320 T351 L359	L319-C355 HydrophobicContact CB-CB 4.45Å; L319-C355 PolarHBondContact O-SG 2.68Å; L320-C355 HydrophobicContact CD2-CB 4.09Å; T351-C355 PolarHBondContact O-N 2.75Å; C355-L359 WeakPolarHBondContact O-CB 3.49Å; C355-L359 PolarHBondContact O-N 2.71Å
356	L	93.9	Very high	91.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-43	174.2	-178.6	79.7	0	0	0	112.4	E352 G353 D354 L358 L359 V360 I372 L438 F439 A440 I453 P455	E352-L356 VanDerWaalsContact O-CB 3.31Å; E352-L356 WeakPolarHBondContact O-CB 3.49Å; E352-L356 PolarHBondContact O-N 2.74Å; G353-L356 PolarHBondContact O-N 2.89Å; D354-L356 VanDerWaalsContact C-N 3.34Å; D354-L356 PolarHBondContact O-N 3.17Å; L356-L358 VanDerWaalsContact C-N 3.3Å; L356-L358 PolarHBondContact O-N 3.12Å; L356-L359 WeakPolarHBondContact O-CB 3.36Å; L356-L359 PolarHBondContact O-N 3.46Å; L356-L359 VanDerWaalsContact O-N 3.17Å; L356-V360 WeakPolarHBondContact O-CG2 3.33Å; L356-V360 PolarHBondContact O-N 2.9Å; L356-I372 HydrophobicContact CD2-CD1 3.67Å; L356-I372 HydrophobicContact CG-CD1 4.14Å; L356-L438 VanDerWaalsContact CD2-C 3.49Å; L356-L438 HydrophobicContact CD2-CB 3.8Å; L356-F439 VanDerWaalsContact CD2-CA 3.43Å; L356-A440 HydrophobicContact CD1-CB 4.01Å; L356-I453 HydrophobicContact CD1-CG2 4.38Å; L356-P455 HydrophobicContact CB-CB 4.47Å; L356-P455 HydrophobicContact CD1-CB 4.41Å; L356-P455 HydrophobicContact CD1-CG 4.33Å; L356-P455 HydrophobicContact CD2-CG 4.34Å
357	I	94.4	Very high	91.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-42.4	177.4	-74.5	163.7	0	0	0	110.3	V270 T273 Y337 L341 G353 D354 V360 A361	V270-I357 HydrophobicContact CG1-CD1 4Å; V270-I357 HydrophobicContact CG1-CG1 4.13Å; T273-I357 HydrophobicContact CG2-CG2 3.83Å; Y337-I357 HydrophobicContact CE1-CD1 3.99Å; Y337-I357 WeakPolarHBondContact OH-CD1 3.38Å; L341-I357 HydrophobicContact CD1-CB 4.16Å; L341-I357 HydrophobicContact CD1-CD1 4.4Å; L341-I357 HydrophobicContact CD1-CG2 3.72Å; G353-I357 WeakPolarHBondContact O-CB 3.5Å; G353-I357 WeakPolarHBondContact O-CD1 3.31Å; G353-I357 VanDerWaalsContact O-CG1 3.25Å; G353-I357 WeakPolarHBondContact O-CG1 3.43Å; G353-I357 PolarHBondContact O-N 3.36Å; D354-I357 PolarHBondContact O-N 2.74Å; I357-V360 PolarHBondContact O-N 2.81Å; I357-A361 VanDerWaalsContact O-CB 3.3Å; I357-A361 WeakPolarHBondContact O-CB 3.35Å; I357-A361 PolarHBondContact O-N 3.49Å
358	L	94.6	Very high	91.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-39.4	173.7	-69.7	165.9	0	0	0	112.3	L282 L286 L319 L341 L345 D354 L356 A362	L282-L358 HydrophobicContact CB-CD2 3.89Å; L286-L358 HydrophobicContact CD1-CD1 3.97Å; L319-L358 HydrophobicContact CD2-CB 4.45Å; L341-L358 HydrophobicContact CD2-CD1 4.2Å; L341-L358 HydrophobicContact CD2-CD2 4.06Å; L341-L358 HydrophobicContact CD2-CG 4.14Å; L345-L358 HydrophobicContact CD1-CD1 4.22Å; L345-L358 HydrophobicContact CD2-CD1 4.07Å; D354-L358 WeakPolarHBondContact O-CG 3.21Å; D354-L358 PolarHBondContact O-N 3.25Å; L356-L358 VanDerWaalsContact C-N 3.3Å; L356-L358 PolarHBondContact O-N 3.12Å; L358-A362 WeakPolarHBondContact O-CB 3.47Å; L358-A362 PolarHBondContact O-N 3.32Å
359	L	95.3	Very high	92.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-62.4	-47.8	174.4	178.8	59	0	0	0	111.7	L287 C315 L316 L319 C355 L356 A362 L363 I453	L287-L359 HydrophobicContact CD1-CD1 4.41Å; L287-L359 HydrophobicContact CD2-CD1 4.29Å; C315-L359 HydrophobicContact CB-CD1 3.86Å; L316-L359 HydrophobicContact CB-CD2 4.21Å; L316-L359 HydrophobicContact CD1-CD2 3.68Å; L319-L359 VanDerWaalsContact CD1-CA 3.49Å; L319-L359 HydrophobicContact CD1-CB 3.52Å; L319-L359 HydrophobicContact CD1-CD1 3.87Å; L319-L359 HydrophobicContact CD1-CG 4.24Å; C355-L359 WeakPolarHBondContact O-CB 3.49Å; C355-L359 PolarHBondContact O-N 2.71Å; L356-L359 WeakPolarHBondContact O-CB 3.36Å; L356-L359 PolarHBondContact O-N 3.46Å; L356-L359 VanDerWaalsContact O-N 3.17Å; L359-A362 PolarHBondContact O-N 2.77Å; L359-L363 HydrophobicContact CD1-CD1 3.79Å; L359-L363 HydrophobicContact CD1-CG 4.01Å; L359-L363 HydrophobicContact CG-CD1 3.88Å; L359-L363 HydrophobicContact CG-CG 4.48Å; L359-L363 WeakPolarHBondContact O-CB 3.44Å; L359-L363 VanDerWaalsContact O-CG 3.3Å; L359-L363 WeakPolarHBondContact O-CG 3.45Å; L359-L363 PolarHBondContact O-N 3.28Å; L359-I453 HydrophobicContact CD2-CG2 3.85Å
360	V	96.4	Very high	93	Very high	1 Å²	1	12 Å²	12	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-63.8	-44.4	178.9	171.7	0	0	0	0	110.8	C274 L356 I357 A362 L363 R364 V370 I372 A440	C274-V360 HydrophobicContact CB-CG1 4.06Å; L356-V360 WeakPolarHBondContact O-CG2 3.33Å; L356-V360 PolarHBondContact O-N 2.9Å; I357-V360 PolarHBondContact O-N 2.81Å; V360-A362 VanDerWaalsContact C-N 3.33Å; V360-A362 PolarHBondContact O-N 3.2Å; V360-L363 PolarHBondContact O-N 2.99Å; V360-R364 HydrophobicContact CG1-CG 4.38Å; V360-R364 WeakPolarHBondContact O-CB 3.37Å; V360-R364 VanDerWaalsContact O-CG 3.3Å; V360-R364 WeakPolarHBondContact O-CG 3.42Å; V360-R364 PolarHBondContact O-N 3.5Å; V360-V370 HydrophobicContact CB-CG1 4.38Å; V360-V370 HydrophobicContact CG1-CB 4.36Å; V360-V370 HydrophobicContact CG1-CG1 3.92Å; V360-V370 HydrophobicContact CG2-CG1 4.07Å; V360-I372 HydrophobicContact CG1-CB 4.39Å; V360-I372 HydrophobicContact CG2-CD1 4.04Å; V360-A440 HydrophobicContact CG2-CB 3.62Å
361	A	95.5	Very high	93.5	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.5	-41.5	176.1	0	0	0	0	0	112	C274 C279 R280 I357 S365	C274-A361 WeakPolarHBondContact O-CA 3.24Å; C274-A361 WeakPolarHBondContact O-CB 3.35Å; C279-A361 HydrophobicContact CB-CB 4.12Å; R280-A361 HydrophobicContact CG-CB 4.02Å; I357-A361 VanDerWaalsContact O-CB 3.3Å; I357-A361 WeakPolarHBondContact O-CB 3.35Å; I357-A361 PolarHBondContact O-N 3.49Å; A361-S365 WeakPolarHBondContact O-CB 3.31Å; A361-S365 PolarHBondContact O-N 3.26Å; A361-S365 VanDerWaalsContact O-N 3.15Å; A361-S365 PolarHBondContact O-OG 2.96Å
362	A	95.2	Very high	94	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.8	-50.5	175.8	0	0	0	0	0	112.2	L287 L358 L359 V360 R364 S365 L366	L287-A362 HydrophobicContact CD1-CB 3.47Å; L287-A362 VanDerWaalsContact CD1-CB 3.47Å; L287-A362 HydrophobicContact CG-CB 3.86Å; L358-A362 WeakPolarHBondContact O-CB 3.47Å; L358-A362 PolarHBondContact O-N 3.32Å; L359-A362 PolarHBondContact O-N 2.77Å; V360-A362 VanDerWaalsContact C-N 3.33Å; V360-A362 PolarHBondContact O-N 3.2Å; A362-R364 PolarHBondContact O-N 3.07Å; A362-S365 WeakPolarHBondContact O-CB 3.28Å; A362-S365 PolarHBondContact O-N 2.91Å; A362-S365 VanDerWaalsContact O-N 3.08Å; A362-L366 WeakPolarHBondContact O-CG 3.39Å; A362-L366 PolarHBondContact O-N 3.33Å
363	L	95.2	Very high	94.3	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.5	-39.9	-178.5	-69.7	169.9	0	0	0	112.3	W307 L359 V360 S365 L366 G367 F368 V370 L442 I453	W307-L363 HydrophobicContact CH2-CD2 4.21Å; W307-L363 HydrophobicContact CZ3-CD2 3.82Å; L359-L363 HydrophobicContact CD1-CD1 3.79Å; L359-L363 HydrophobicContact CD1-CG 4.01Å; L359-L363 HydrophobicContact CG-CD1 3.88Å; L359-L363 HydrophobicContact CG-CG 4.48Å; L359-L363 WeakPolarHBondContact O-CB 3.44Å; L359-L363 VanDerWaalsContact O-CG 3.3Å; L359-L363 WeakPolarHBondContact O-CG 3.45Å; L359-L363 PolarHBondContact O-N 3.28Å; V360-L363 PolarHBondContact O-N 2.99Å; L363-S365 VanDerWaalsContact C-N 3.28Å; L363-S365 PolarHBondContact O-N 2.92Å; L363-L366 PolarHBondContact O-N 3.48Å; L363-G367 PolarHBondContact O-N 2.73Å; L363-F368 HydrophobicContact CB-CD2 4.38Å; L363-F368 HydrophobicContact CD2-CD2 3.89Å; L363-F368 HydrophobicContact CD2-CE2 4.12Å; L363-F368 PolarHBondContact O-N 2.82Å; L363-V370 HydrophobicContact CB-CG2 3.72Å; L363-L442 HydrophobicContact CD1-CD1 4.5Å; L363-L442 HydrophobicContact CD1-CD2 4.25Å; L363-I453 HydrophobicContact CD1-CD1 4.11Å
364	R	95	Very high	94.5	Very high	1 Å²	1	5.4 Å²	5.4	0%	0.004	4%	0.037	C	C	.	.	H	α-helix	trans	-60.1	-38.9	171.7	-73.6	178.7	179.1	-178.7	3.4	112.2	N271 D275 V360 A362 G367 V370 A477 T483	N271-R364 PolarHBondContact O-NH1 3.46Å; N271-R364 VanDerWaalsContact OD1-CZ 3.27Å; N271-R364 PolarHBondContact OD1-NH1 3.3Å; N271-R364 PolarHBondContact OD1-NH2 2.87Å; D275-R364 VanDerWaalsContact OD1-CD 3.24Å; D275-R364 WeakPolarHBondContact OD1-CD 3.36Å; D275-R364 IonicContact OD1-CZ 2.9Å; D275-R364 IonicContact OD1-NE 2.8Å; D275-R364 IonicContact OD1-NH1 3.58Å; D275-R364 PolarHBondContact OD1-NH1 3.19Å; D275-R364 IonicContact OD2-NH1 3.37Å; V360-R364 HydrophobicContact CG1-CG 4.38Å; V360-R364 WeakPolarHBondContact O-CB 3.37Å; V360-R364 VanDerWaalsContact O-CG 3.3Å; V360-R364 WeakPolarHBondContact O-CG 3.42Å; V360-R364 PolarHBondContact O-N 3.5Å; A362-R364 PolarHBondContact O-N 3.07Å; R364-G367 PolarHBondContact O-N 2.72Å; R364-V370 HydrophobicContact CG-CB 3.94Å; R364-V370 HydrophobicContact CG-CG2 4.06Å; R364-V370 PolarHBondContact NE-O 2.84Å; R364-V370 VanDerWaalsContact NE-O 3.11Å; R364-V370 PolarHBondContact NH2-O 2.92Å; R364-A477 PolarHBondContact NH2-O 2.93Å; R364-T483 PolarHBondContact O-OG1 3.45Å
365	S	93.5	Very high	94.6	Very high	32 Å²	32	5.3 Å²	5.3	22%	0.224	4%	0.036	C	C	.	.	H	α-helix	trans	-73.7	-28.5	-179.7	-54.4	0	0	0	0	113.4	R280 A361 A362 L363 G367	R280-S365 WeakPolarHBondContact CB-OG 3.18Å; R280-S365 VanDerWaalsContact CD-OG 3.28Å; R280-S365 WeakPolarHBondContact CD-OG 3.22Å; R280-S365 WeakPolarHBondContact CG-OG 3.46Å; A361-S365 WeakPolarHBondContact O-CB 3.31Å; A361-S365 PolarHBondContact O-N 3.26Å; A361-S365 VanDerWaalsContact O-N 3.15Å; A361-S365 PolarHBondContact O-OG 2.96Å; A362-S365 WeakPolarHBondContact O-CB 3.28Å; A362-S365 PolarHBondContact O-N 2.91Å; A362-S365 VanDerWaalsContact O-N 3.08Å; L363-S365 VanDerWaalsContact C-N 3.28Å; L363-S365 PolarHBondContact O-N 2.92Å; S365-G367 PolarHBondContact O-N 3.28Å
366	L	92.4	Very high	94.7	Very high	33 Å²	33	5.2 Å²	5.2	17%	0.173	4%	0.035	C	C	.	.	H	α-helix	trans	-70.4	-18.7	169.8	-68.5	173.5	0	0	0	112.7	L287 F301 L304 W307 A362 L363 F368	L287-L366 HydrophobicContact CD1-CD1 4.42Å; F301-L366 HydrophobicContact CB-CD2 4.08Å; F301-L366 HydrophobicContact CD1-CD1 4.44Å; F301-L366 HydrophobicContact CD1-CD2 4.13Å; F301-L366 HydrophobicContact CD2-CD2 3.57Å; F301-L366 HydrophobicContact CE2-CD2 4Å; F301-L366 HydrophobicContact CG-CD2 3.65Å; F301-L366 HydrophobicContact CZ-CD2 4.44Å; L304-L366 WeakPolarHBondContact CD2-O 3.22Å; W307-L366 HydrophobicContact CH2-CD1 3.68Å; W307-L366 HydrophobicContact CZ2-CD1 3.9Å; A362-L366 WeakPolarHBondContact O-CG 3.39Å; A362-L366 PolarHBondContact O-N 3.33Å; L363-L366 PolarHBondContact O-N 3.48Å; L366-F368 HydrophobicContact CB-CD2 4.17Å; L366-F368 HydrophobicContact CB-CE2 4.39Å; L366-F368 HydrophobicContact CD1-CE2 4.49Å
367	G	92.4	Very high	94.6	Very high	24 Å²	24	6.2 Å²	6.2	25%	0.247	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	29.3	-177.7	0	0	0	0	0	114.5	L304 L363 R364 S365 L487	L304-G367 VanDerWaalsContact CD2-O 3.24Å; L304-G367 WeakPolarHBondContact CD2-O 3.14Å; L363-G367 PolarHBondContact O-N 2.73Å; R364-G367 PolarHBondContact O-N 2.72Å; S365-G367 PolarHBondContact O-N 3.28Å; G367-L487 WeakPolarHBondContact O-CD1 3.43Å
368	F	94.1	Very high	94.5	Very high	7 Å²	7	6.2 Å²	6.2	3%	0.031	4%	0.041	C	C	.	.			trans	-89.6	151.2	166.2	-70.1	-77.8	0	0	0	112	L304 W307 L363 L366 V370 L442 L444	L304-F368 HydrophobicContact CB-CE1 3.85Å; L304-F368 HydrophobicContact CB-CE2 4.41Å; L304-F368 HydrophobicContact CB-CZ 3.75Å; L304-F368 HydrophobicContact CD2-CD1 4Å; L304-F368 HydrophobicContact CD2-CD2 3.88Å; L304-F368 HydrophobicContact CD2-CE1 4Å; L304-F368 HydrophobicContact CD2-CE2 3.89Å; L304-F368 HydrophobicContact CD2-CG 3.94Å; L304-F368 HydrophobicContact CD2-CZ 3.95Å; L304-F368 HydrophobicContact CG-CD1 4.48Å; L304-F368 HydrophobicContact CG-CD2 4.23Å; L304-F368 HydrophobicContact CG-CE1 3.98Å; L304-F368 HydrophobicContact CG-CE2 3.71Å; L304-F368 HydrophobicContact CG-CZ 3.57Å; W307-F368 HydrophobicContact CB-CZ 4.3Å; W307-F368 AromaticContact CD2-CE2 3.97Å; W307-F368 HydrophobicContact CD2-CE2 3.97Å; W307-F368 AromaticContact CD2-CZ 3.59Å; W307-F368 HydrophobicContact CD2-CZ 3.59Å; W307-F368 AromaticContact CE2-CE2 3.99Å; W307-F368 AromaticContact CE2-CZ 3.9Å; W307-F368 AromaticContact CE3-CE2 3.98Å; W307-F368 HydrophobicContact CE3-CE2 3.98Å; W307-F368 AromaticContact CE3-CZ 3.85Å; W307-F368 HydrophobicContact CE3-CZ 3.85Å; W307-F368 AromaticContact CG-CZ 3.81Å; W307-F368 HydrophobicContact CG-CZ 3.81Å; W307-F368 HydrophobicContact CH2-CE2 4.07Å; W307-F368 HydrophobicContact CZ2-CE2 4.05Å; W307-F368 HydrophobicContact CZ2-CZ 4.43Å; W307-F368 HydrophobicContact CZ3-CE2 4.03Å; W307-F368 HydrophobicContact CZ3-CZ 4.38Å; L363-F368 HydrophobicContact CB-CD2 4.38Å; L363-F368 HydrophobicContact CD2-CD2 3.89Å; L363-F368 HydrophobicContact CD2-CE2 4.12Å; L363-F368 PolarHBondContact O-N 2.82Å; L366-F368 HydrophobicContact CB-CD2 4.17Å; L366-F368 HydrophobicContact CB-CE2 4.39Å; L366-F368 HydrophobicContact CD1-CE2 4.49Å; F368-V370 HydrophobicContact CB-CG2 3.73Å; F368-L442 HydrophobicContact CB-CD1 3.49Å; F368-L442 VanDerWaalsContact CB-CD1 3.49Å; F368-L442 HydrophobicContact CD1-CD1 3.78Å; F368-L442 HydrophobicContact CD2-CD1 4.41Å; F368-L442 HydrophobicContact CG-CD1 3.66Å; F368-L444 HydrophobicContact CE1-CD2 4.3Å
369	D	94.8	Very high	94.3	Very high	7 Å²	7	8.7 Å²	8.7	4%	0.037	5%	0.053	C	C	.	.			trans	-80.5	113.9	166.7	-145.6	-14.1	0	0	0	107.4	F443 W450 L487 R493 R553	D369-F443 HydrophobicContact CB-CB 3.96Å; D369-F443 PolarHBondContact O-N 3.37Å; D369-W450 HydrophobicContact CB-CH2 3.89Å; D369-W450 HydrophobicContact CB-CZ3 4.41Å; D369-W450 VanDerWaalsContact O-CZ3 3.27Å; D369-W450 WeakPolarHBondContact O-CZ3 3.27Å; D369-L487 HydrophobicContact CB-CD2 3.69Å; D369-R493 IonicContact OD1-CZ 3.96Å; D369-R493 IonicContact OD1-NH1 3.34Å; D369-R493 PolarHBondContact OD1-NH1 3.5Å; D369-R493 IonicContact OD1-NH2 3.82Å; D369-R493 PolarHBondContact OD1-NH2 3.42Å; D369-R493 IonicContact OD2-CZ 2.86Å; D369-R493 IonicContact OD2-NH1 2.9Å; D369-R493 IonicContact OD2-NH2 3.14Å; D369-R493 PolarHBondContact OD2-NH2 3.29Å; D369-R553 IonicContact OD2-CZ 2.62Å; D369-R553 IonicContact OD2-NH1 2.67Å; D369-R553 PolarHBondContact OD2-NH1 2.87Å
370	V	96.4	Very high	94	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120.2	-171.2	-161.6	0	0	0	0	111.9	V360 L363 R364 F368 E441 L442	V360-V370 HydrophobicContact CB-CG1 4.38Å; V360-V370 HydrophobicContact CG1-CB 4.36Å; V360-V370 HydrophobicContact CG1-CG1 3.92Å; V360-V370 HydrophobicContact CG2-CG1 4.07Å; L363-V370 HydrophobicContact CB-CG2 3.72Å; R364-V370 HydrophobicContact CG-CB 3.94Å; R364-V370 HydrophobicContact CG-CG2 4.06Å; R364-V370 PolarHBondContact NE-O 2.84Å; R364-V370 VanDerWaalsContact NE-O 3.11Å; R364-V370 PolarHBondContact NH2-O 2.92Å; F368-V370 HydrophobicContact CB-CG2 3.73Å; V370-E441 WeakPolarHBondContact CA-O 3.4Å; V370-E441 WeakPolarHBondContact CG1-O 3.44Å; V370-L442 HydrophobicContact CG2-CD1 3.92Å
371	R	96.3	Very high	93.6	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.6	171.7	-65.1	158.7	178.3	-177.2	-0.2	108.8	I373 A440 E441 W450 A477 C478 D554 D557	R371-I373 HydrophobicContact CB-CG1 4.23Å; R371-A440 CarbonylContact O-C 3.45Å; R371-A440 VanDerWaalsContact O-CA 3.31Å; R371-A440 WeakPolarHBondContact O-CA 3.38Å; R371-A440 WeakPolarHBondContact O-CB 3.47Å; R371-E441 HydrophobicContact CB-CB 4.06Å; R371-E441 WeakPolarHBondContact CD-OE2 3.36Å; R371-E441 IonicContact CZ-OE2 3.89Å; R371-E441 PolarHBondContact N-O 2.92Å; R371-E441 IonicContact NE-OE2 2.73Å; R371-E441 IonicContact NH1-OE2 2.9Å; R371-E441 PolarHBondContact NH1-OE2 3.24Å; R371-E441 PolarHBondContact O-N 3.16Å; R371-W450 HydrophobicContact CB-CZ3 4.41Å; R371-W450 HydrophobicContact CG-CE3 4.31Å; R371-W450 HydrophobicContact CG-CH2 3.87Å; R371-W450 HydrophobicContact CG-CZ3 3.7Å; R371-A477 CarbonylContact C-O 3.59Å; R371-A477 VanDerWaalsContact CA-O 3.28Å; R371-A477 WeakPolarHBondContact CA-O 3.1Å; R371-C478 WeakPolarHBondContact CG-SG 3.47Å; R371-D554 IonicContact CZ-OD1 2.71Å; R371-D554 IonicContact NE-OD1 3.68Å; R371-D554 IonicContact NH2-OD1 3.2Å; R371-D554 PolarHBondContact NH2-OD1 3Å; R371-D557 IonicContact CZ-OD2 2.99Å; R371-D557 IonicContact NH1-OD2 3.92Å; R371-D557 PolarHBondContact NH1-OD2 3.09Å; R371-D557 IonicContact NH2-OD2 2.9Å; R371-D557 PolarHBondContact NH2-OD2 3.26Å
372	I	96.9	Very high	92.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	136.6	155.8	-173.9	68.2	0	0	0	106.9	V270 N271 L356 V360 L374 G476 A477	V270-I372 HydrophobicContact CG1-CG1 3.98Å; N271-I372 HydrophobicContact CB-CG2 4.14Å; L356-I372 HydrophobicContact CD2-CD1 3.67Å; L356-I372 HydrophobicContact CG-CD1 4.14Å; V360-I372 HydrophobicContact CG1-CB 4.39Å; V360-I372 HydrophobicContact CG2-CD1 4.04Å; I372-L374 HydrophobicContact CG1-CD1 4.46Å; I372-G476 CarbonylContact O-C 3.6Å; I372-G476 WeakPolarHBondContact O-CA 3.21Å; I372-A477 HydrophobicContact CG2-CB 4.18Å; I372-A477 PolarHBondContact N-O 2.93Å; I372-A477 PolarHBondContact O-N 2.97Å
373	I	95.7	Very high	91.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.3	-176.9	-53.7	175.4	0	0	0	109.7	R371 F439 E441 V474 V475 L498 Y502	R371-I373 HydrophobicContact CB-CG1 4.23Å; I373-F439 WeakPolarHBondContact CA-O 3.28Å; I373-F439 HydrophobicContact CB-CD1 4.26Å; I373-F439 HydrophobicContact CB-CD2 3.99Å; I373-F439 HydrophobicContact CB-CE1 4.13Å; I373-F439 HydrophobicContact CB-CE2 3.86Å; I373-F439 HydrophobicContact CB-CG 4.21Å; I373-F439 HydrophobicContact CB-CZ 3.96Å; I373-F439 HydrophobicContact CD1-CD2 3.94Å; I373-F439 HydrophobicContact CD1-CE2 3.55Å; I373-F439 HydrophobicContact CD1-CZ 4.28Å; I373-F439 HydrophobicContact CG1-CD2 4.48Å; I373-F439 HydrophobicContact CG1-CE2 4.3Å; I373-F439 HydrophobicContact CG2-CD1 4.22Å; I373-F439 HydrophobicContact CG2-CD2 4.3Å; I373-F439 HydrophobicContact CG2-CE1 3.6Å; I373-F439 HydrophobicContact CG2-CE2 3.7Å; I373-F439 HydrophobicContact CG2-CZ 3.34Å; I373-F439 PolarHBondContact N-O 3.11Å; I373-F439 PolarHBondContact O-N 2.93Å; I373-E441 HydrophobicContact CD1-CB 3.72Å; I373-E441 HydrophobicContact CD1-CG 3.52Å; I373-V474 HydrophobicContact CG2-CG1 3.36Å; I373-V475 WeakPolarHBondContact CA-O 3.42Å; I373-L498 HydrophobicContact CD1-CD1 3.54Å; I373-L498 HydrophobicContact CG1-CD1 3.87Å; I373-L498 HydrophobicContact CG2-CD1 4.39Å; I373-Y502 HydrophobicContact CD1-CE2 4.15Å
374	L	94.6	Very high	90.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116.3	174.1	-61.2	83.1	0	0	0	109	V270 I372 L376 I436 T437 L438 V474 V475	V270-L374 HydrophobicContact CG2-CD2 4.48Å; I372-L374 HydrophobicContact CG1-CD1 4.46Å; L374-L376 HydrophobicContact CB-CD2 3.88Å; L374-L376 HydrophobicContact CB-CG 4.44Å; L374-I436 HydrophobicContact CB-CG2 4.44Å; L374-I436 HydrophobicContact CD2-CG2 4.13Å; L374-T437 CarbonylContact C-O 3.52Å; L374-T437 WeakPolarHBondContact CA-O 3.43Å; L374-L438 HydrophobicContact CB-CD2 4.42Å; L374-L438 HydrophobicContact CD2-CD2 3.85Å; L374-L438 HydrophobicContact CG-CD2 3.62Å; L374-V474 WeakPolarHBondContact O-CA 3.25Å; L374-V475 HydrophobicContact CB-CG2 4.3Å; L374-V475 PolarHBondContact N-O 2.97Å; L374-V475 PolarHBondContact O-N 3.27Å
375	G	93.2	Very high	89.3	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	130	162.4	0	0	0	0	0	109.3	I436 T437 Y473	G375-I436 CarbonylContact O-C 3.51Å; G375-I436 WeakPolarHBondContact O-CA 3.32Å; G375-T437 WeakPolarHBondContact CA-OG1 3.47Å; G375-T437 PolarHBondContact N-O 2.97Å; G375-T437 PolarHBondContact O-N 3.1Å; G375-T437 PolarHBondContact O-OG1 2.88Å; G375-Y473 CarbonylContact C-O 3.56Å
376	L	92.6	Very high	87.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.3	-168.6	-54.5	176.6	0	0	0	110.1	F263 L374 I436 L472 Y473 V475	F263-L376 HydrophobicContact CB-CD1 3.81Å; F263-L376 HydrophobicContact CB-CD2 3.84Å; F263-L376 HydrophobicContact CB-CG 4.32Å; F263-L376 HydrophobicContact CD2-CB 3.84Å; F263-L376 HydrophobicContact CD2-CD1 4.38Å; F263-L376 HydrophobicContact CD2-CD2 3.99Å; F263-L376 HydrophobicContact CD2-CG 4.28Å; F263-L376 HydrophobicContact CE2-CB 4.29Å; F263-L376 HydrophobicContact CG-CD2 4Å; L374-L376 HydrophobicContact CB-CD2 3.88Å; L374-L376 HydrophobicContact CB-CG 4.44Å; L376-I436 HydrophobicContact CD2-CG1 4.17Å; L376-I436 HydrophobicContact CD2-CG2 4.16Å; L376-L472 PolarHBondContact O-N 2.91Å; L376-Y473 PolarHBondContact N-O 2.84Å; L376-Y473 PolarHBondContact O-N 3.03Å; L376-Y473 VanDerWaalsContact O-N 3.11Å; L376-V475 HydrophobicContact CD1-CG2 3.93Å
377	N	91.6	Very high	86.1	Confident	22 Å²	22	27.6 Å²	27.6	12%	0.118	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	90.3	171.4	-171.8	38.7	0	0	0	109.8	K433 S434 S435 G470	N377-K433 PolarHBondContact ND2-O 2.86Å; N377-S434 CarbonylContact O-C 3.59Å; N377-S434 WeakPolarHBondContact O-CA 3.48Å; N377-S434 WeakPolarHBondContact O-CB 3.48Å; N377-S435 PolarHBondContact N-O 3.31Å; N377-S435 PolarHBondContact O-N 3.5Å; N377-G470 PolarHBondContact OD1-O 2.82Å
378	P	92.4	Very high	84.5	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-76.6	168.2	176.6	33.4	-38	0	0	0	112	H256 H259 V260 F263 Y473	H256-P378 VanDerWaalsContact CE1-CG 3.43Å; H256-P378 WeakPolarHBondContact CE1-CG 3.44Å; H259-P378 HydrophobicContact CB-CB 4.01Å; V260-P378 HydrophobicContact CG2-CB 3.98Å; V260-P378 HydrophobicContact CG2-CG 3.74Å; F263-P378 HydrophobicContact CD2-CB 4.4Å; F263-P378 HydrophobicContact CE2-CB 4.11Å; P378-Y473 HydrophobicContact CG-CD2 4.16Å; P378-Y473 HydrophobicContact CG-CE2 3.79Å
379	I	91	Very high	82.9	Confident	52 Å²	52	33.4 Å²	33.4	27%	0.267	19%	0.192	S	C	.	.	S	Bend	trans	-49.3	136.1	170.9	-68.1	165.2	0	0	0	110.6	M255 H256 H259	M255-I379 HydrophobicContact CE-CD1 4.45Å; H256-I379 PolarHBondContact ND1-O 3.16Å; H259-I379 WeakPolarHBondContact ND1-CD1 3.37Å; H259-I379 WeakPolarHBondContact ND1-CG1 3.41Å
380	P	89.1	Confident	81.1	Confident	59 Å²	59	37 Å²	37	38%	0.383	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-54.9	147.9	-178.3	-29.4	36.3	0	0	0	115.5	S382	P380-S382 VanDerWaalsContact C-N 3.25Å; P380-S382 PolarHBondContact O-N 2.79Å
381	L	86.8	Confident	79.1	Confident	32 Å²	32	40.7 Å²	40.7	17%	0.168	23%	0.229	C	C	.	.	S	Bend	trans	-65.5	-24.7	176.7	-78	169.8	0	0	0	114.4	Y252 T253 H256 R514	Y252-L381 WeakPolarHBondContact CB-O 3.35Å; T253-L381 HydrophobicContact CG2-CD2 4.32Å; H256-L381 HydrophobicContact CB-CD2 3.8Å; H256-L381 HydrophobicContact CB-CG 4.42Å; H256-L381 VanDerWaalsContact CD2-CD2 3.48Å; H256-L381 WeakPolarHBondContact CD2-CD2 3.33Å; L381-R514 VanDerWaalsContact CD1-C 3.48Å; L381-R514 WeakPolarHBondContact CD1-O 3.47Å
382	S	80.7	Confident	77	Confident	76 Å²	76	43.9 Å²	43.9	53%	0.531	25%	0.249	S	C	.	.	S	Bend	trans	-118.8	142	-179	56	0	0	0	0	110.5	P380	P380-S382 VanDerWaalsContact C-N 3.25Å; P380-S382 PolarHBondContact O-N 2.79Å
383	P	74.8	Confident	74.9	Confident	24 Å²	24	47 Å²	47	16%	0.156	27%	0.271	C	S	.	.			trans	-57.8	147.7	169.3	28.1	-37.5	0	0	0	110.9	L248 Y252 A387 T388	L248-P383 HydrophobicContact CD2-CB 4.04Å; L248-P383 HydrophobicContact CD2-CG 3.68Å; L248-P383 HydrophobicContact CG-CB 4.4Å; L248-P383 HydrophobicContact CG-CG 4.06Å; Y252-P383 HydrophobicContact CD1-CB 4.43Å; Y252-P383 HydrophobicContact CD2-CB 4.17Å; Y252-P383 HydrophobicContact CE1-CB 4.07Å; Y252-P383 HydrophobicContact CE2-CB 3.78Å; Y252-P383 HydrophobicContact CG-CB 4.48Å; P383-A387 HydrophobicContact CB-CB 4.13Å; P383-T388 HydrophobicContact CB-CG2 3.97Å; P383-T388 HydrophobicContact CG-CG2 3.56Å
384	S	70.1	Confident	72.5	Confident	55 Å²	55	52 Å²	52	39%	0.385	30%	0.302	S	S	.	.			trans	-62.4	163	173.5	63.1	0	0	0	0	111.9	S386 A387 T388	S384-S386 PolarHBondContact O-N 3.29Å; S384-S386 PolarHBondContact OG-OG 2.58Å; S384-A387 PolarHBondContact O-N 3.37Å; S384-A387 WeakPolarHBondContact OG-CB 3.35Å; S384-A387 PolarHBondContact OG-N 2.9Å; S384-A387 VanDerWaalsContact OG-N 3.09Å; S384-T388 PolarHBondContact O-N 2.63Å; S384-T388 PolarHBondContact O-OG1 3.09Å
385	E	66.2	Low	70.2	Confident	137 Å²	137	56 Å²	56	64%	0.64	33%	0.326	S	S	*	.	H	α-helix	trans	-58.1	-35.6	169.2	-75.8	-162.7	-164.5	0	0	112.2	T388 K389	E385-T388 WeakPolarHBondContact CA-OG1 3.47Å; E385-T388 PolarHBondContact O-N 2.91Å; E385-T388 PolarHBondContact O-OG1 2.86Å; E385-K389 HydrophobicContact CB-CD 4.46Å; E385-K389 VanDerWaalsContact O-CB 3.26Å; E385-K389 WeakPolarHBondContact O-CB 3.2Å; E385-K389 VanDerWaalsContact O-CD 3.25Å; E385-K389 WeakPolarHBondContact O-CD 3.28Å; E385-K389 WeakPolarHBondContact O-CG 3.37Å; E385-K389 PolarHBondContact O-N 3.03Å; E385-K389 WeakPolarHBondContact OE2-CE 3.47Å; E385-K389 IonicContact OE2-NZ 3.8Å; E385-K389 PolarHBondContact OE2-NZ 2.8Å
386	S	59.5	Low	67.6	Low	64 Å²	64	64.6 Å²	64.6	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-49.3	176.7	44.3	0	0	0	0	111.8	S384 T388 K389 I390	S384-S386 PolarHBondContact O-N 3.29Å; S384-S386 PolarHBondContact OG-OG 2.58Å; S386-T388 VanDerWaalsContact C-N 3.34Å; S386-T388 PolarHBondContact O-N 3.5Å; S386-K389 PolarHBondContact O-N 3.07Å; S386-I390 WeakPolarHBondContact O-CG1 3.38Å; S386-I390 PolarHBondContact O-N 2.62Å
387	A	58.5	Low	64.9	Low	19 Å²	19	72.8 Å²	72.8	16%	0.157	40%	0.402	C	S	.	.	H	α-helix	trans	-60.8	-41.3	176.9	0	0	0	0	0	112.3	P383 S384	P383-A387 HydrophobicContact CB-CB 4.13Å; S384-A387 PolarHBondContact O-N 3.37Å; S384-A387 WeakPolarHBondContact OG-CB 3.35Å; S384-A387 PolarHBondContact OG-N 2.9Å; S384-A387 VanDerWaalsContact OG-N 3.09Å
388	T	60	Low	62.2	Low	37 Å²	37	78.2 Å²	78.2	23%	0.227	44%	0.436	C	S	.	.	H	α-helix	trans	-73.8	-25.6	177.1	47.4	0	0	0	0	114	L248 P383 S384 E385 S386	L248-T388 HydrophobicContact CD2-CG2 4.1Å; P383-T388 HydrophobicContact CB-CG2 3.97Å; P383-T388 HydrophobicContact CG-CG2 3.56Å; S384-T388 PolarHBondContact O-N 2.63Å; S384-T388 PolarHBondContact O-OG1 3.09Å; E385-T388 WeakPolarHBondContact CA-OG1 3.47Å; E385-T388 PolarHBondContact O-N 2.91Å; E385-T388 PolarHBondContact O-OG1 2.86Å; S386-T388 VanDerWaalsContact C-N 3.34Å; S386-T388 PolarHBondContact O-N 3.5Å
389	K	60.4	Low	59.3	Low	116 Å²	116	88.5 Å²	88.5	50%	0.504	48%	0.48	S	S	.	.	H	α-helix	trans	-69.9	-39.6	173.6	-78.4	161	-176.6	166.1	0	111.9	E385 S386 L391 T392 S393	E385-K389 HydrophobicContact CB-CD 4.46Å; E385-K389 VanDerWaalsContact O-CB 3.26Å; E385-K389 WeakPolarHBondContact O-CB 3.2Å; E385-K389 VanDerWaalsContact O-CD 3.25Å; E385-K389 WeakPolarHBondContact O-CD 3.28Å; E385-K389 WeakPolarHBondContact O-CG 3.37Å; E385-K389 PolarHBondContact O-N 3.03Å; E385-K389 WeakPolarHBondContact OE2-CE 3.47Å; E385-K389 IonicContact OE2-NZ 3.8Å; E385-K389 PolarHBondContact OE2-NZ 2.8Å; S386-K389 PolarHBondContact O-N 3.07Å; K389-L391 VanDerWaalsContact C-N 3.32Å; K389-L391 PolarHBondContact O-N 3.49Å; K389-T392 WeakPolarHBondContact O-CA 3.41Å; K389-T392 PolarHBondContact O-N 3.36Å; K389-T392 PolarHBondContact O-OG1 2.9Å; K389-S393 PolarHBondContact O-N 3.3Å; K389-S393 VanDerWaalsContact O-N 3.16Å
390	I	57.2	Low	56.6	Low	83 Å²	83	91.3 Å²	91.3	43%	0.426	51%	0.505	S	S	.	.	H	α-helix	trans	-56.6	-44.3	177.5	-66.7	164.7	0	0	0	111.4	S386 T392 S393 T394	S386-I390 WeakPolarHBondContact O-CG1 3.38Å; S386-I390 PolarHBondContact O-N 2.62Å; I390-T392 PolarHBondContact O-N 2.67Å; I390-S393 PolarHBondContact O-N 3.08Å; I390-S393 PolarHBondContact O-OG 3.4Å; I390-S393 VanDerWaalsContact O-OG 3.07Å; I390-T394 PolarHBondContact O-OG1 3.46Å
391	L	54.2	Low	53.9	Low	76 Å²	76	94.3 Å²	94.3	40%	0.398	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-7.2	175.1	-78.8	156.8	0	0	0	114.9	L248 K389	L248-L391 HydrophobicContact CD1-CD1 4.34Å; L248-L391 HydrophobicContact CD2-CD1 3.52Å; K389-L391 VanDerWaalsContact C-N 3.32Å; K389-L391 PolarHBondContact O-N 3.49Å
392	T	52.6	Low	51.6	Low	68 Å²	68	100 Å²	100	42%	0.417	56%	0.555	S	S	.	*	H	α-helix	trans	-112.5	-18.6	177.7	67.9	0	0	0	0	114.1	K389 I390	K389-T392 WeakPolarHBondContact O-CA 3.41Å; K389-T392 PolarHBondContact O-N 3.36Å; K389-T392 PolarHBondContact O-OG1 2.9Å; I390-T392 PolarHBondContact O-N 2.67Å
393	S	51	Low	49.5	Very low	66 Å²	66	106 Å²	106	46%	0.462	57%	0.572	S	S	.	*	H	α-helix	trans	-83.2	-37	179.4	55	0	0	0	0	112.8	K389 I390 T395 K396	K389-S393 PolarHBondContact O-N 3.3Å; K389-S393 VanDerWaalsContact O-N 3.16Å; I390-S393 PolarHBondContact O-N 3.08Å; I390-S393 PolarHBondContact O-OG 3.4Å; I390-S393 VanDerWaalsContact O-OG 3.07Å; S393-T395 PolarHBondContact O-N 3.38Å; S393-K396 PolarHBondContact O-N 2.96Å
394	T	47	Very low	47.7	Very low	106 Å²	106	108.6 Å²	108.6	65%	0.65	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	3.1	-174	51.1	0	0	0	0	116.4	I390	I390-T394 PolarHBondContact O-OG1 3.46Å
395	T	45.8	Very low	46.1	Very low	82 Å²	82	115.7 Å²	115.7	50%	0.503	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122	22.9	177.2	70.6	0	0	0	0	114.9	K237 S393	K237-T395 VanDerWaalsContact NZ-CB 3.34Å; K237-T395 PolarHBondContact NZ-OG1 2.9Å; S393-T395 PolarHBondContact O-N 3.38Å
396	K	37.9	Very low	45	Very low	181 Å²	181	118.4 Å²	118.4	79%	0.787	64%	0.639	S	S	*	*	S	Bend	trans	-112.2	-11.3	-176.8	-77.5	-173.8	175.6	177.6	0	117.2	S393	S393-K396 PolarHBondContact O-N 2.96Å
397	E	36	Very low	43.9	Very low	173 Å²	173	122.2 Å²	122.2	81%	0.808	65%	0.654	S	S	*	*			trans	-106.5	159.9	-169.7	-57.4	-155.4	151.8	0	0	115.4
398	T	34.5	Very low	43	Very low	136 Å²	136	132.2 Å²	132.2	83%	0.834	69%	0.688	S	S	*	*			trans	63.2	83.3	179.8	64.3	0	0	0	0	117.4
399	K	32.2	Very low	42.1	Very low	216 Å²	216	139.5 Å²	139.5	94%	0.939	72%	0.716	S	S	*	*			trans	-107.4	93.8	154.3	-79.3	-177.8	178.6	173.5	0	110.3
400	S	34.7	Very low	41.3	Very low	111 Å²	111	141.5 Å²	141.5	78%	0.776	73%	0.731	S	S	*	*			trans	-103.5	122.9	167.4	51.6	0	0	0	0	110.2
401	P	32	Very low	40.4	Very low	122 Å²	122	145.7 Å²	145.7	79%	0.792	75%	0.752	S	S	*	*			trans	-97.1	106.3	-175	33.9	-31.2	0	0	0	112.2
402	N	38.2	Very low	39.8	Very low	153 Å²	153	146.2 Å²	146.2	82%	0.818	76%	0.762	S	S	*	*			trans	-153.1	149.7	149	-117.5	-35.9	0	0	0	116.9
403	K	36.9	Very low	39.1	Very low	202 Å²	202	148.6 Å²	148.6	88%	0.878	78%	0.781	S	S	*	*			trans	-65.3	129.9	-165.5	-59.1	140.9	-179.2	169.6	0	113.7
404	G	36.4	Very low	38.4	Very low	77 Å²	77	151.5 Å²	151.5	79%	0.794	79%	0.792	S	S	*	*			trans	-152.5	114.8	162.5	0	0	0	0	0	111
405	K	36.3	Very low	38.4	Very low	204 Å²	204	155.4 Å²	155.4	89%	0.887	80%	0.803	S	S	*	*			trans	-90.7	115.3	176	-78.4	-179.3	178.1	174.6	0	109.9
406	H	43.6	Very low	38.4	Very low	195 Å²	195	159.9 Å²	159.9	90%	0.903	82%	0.818	S	S	*	*			trans	-140.5	138.9	151.3	-109.6	-85.9	0	0	0	111
407	N	36.5	Very low	38.8	Very low	144 Å²	144	155.4 Å²	155.4	77%	0.77	81%	0.809	S	S	*	*			trans	-111.1	150	179.6	-77.2	-50.8	0	0	0	110.2
408	R	40.6	Very low	39.5	Very low	229 Å²	229	153.1 Å²	153.1	86%	0.864	80%	0.801	S	S	*	*			trans	96.3	125.6	159.3	-59.1	170.6	-179.6	163	0.9	117.7
409	K	39.9	Very low	40.2	Very low	189 Å²	189	153.9 Å²	153.9	82%	0.822	79%	0.794	S	S	*	*			trans	60.4	101.7	142.3	-63.3	177.2	174.6	-162.8	0	117.4
410	I	43.1	Very low	40.9	Very low	159 Å²	159	149.9 Å²	149.9	82%	0.815	78%	0.782	S	S	*	*				-171.1	145.6	92	-87.9	151.2	0	0	0	106.4
411	I	39.6	Very low	41.2	Very low	170 Å²	170	148.8 Å²	148.8	87%	0.872	77%	0.771	S	S	*	*			trans	-98.1	108.5	168.1	-65.5	175	0	0	0	105.6
412	S	40.6	Very low	41.4	Very low	88 Å²	88	150.5 Å²	150.5	62%	0.615	77%	0.774	S	S	*	*			trans	-74.4	158	167.8	-167.1	0	0	0	0	109.7	D414	S412-D414 WeakPolarHBondContact CB-OD2 3.37Å; S412-D414 PolarHBondContact OG-OD2 2.98Å
413	S	37.9	Very low	41.5	Very low	117 Å²	117	150.7 Å²	150.7	82%	0.818	77%	0.767	S	S	*	*			trans	-112.6	88.8	-173.7	176.2	0	0	0	0	110.4
414	D	37.3	Very low	41.4	Very low	128 Å²	128	148.1 Å²	148.1	68%	0.684	76%	0.763	S	S	*	*			trans	-135.9	85.1	-177.1	-61.1	-79.2	0	0	0	109.7	S412	S412-D414 WeakPolarHBondContact CB-OD2 3.37Å; S412-D414 PolarHBondContact OG-OD2 2.98Å
415	E	46.8	Very low	41.5	Very low	187 Å²	187	151.6 Å²	151.6	87%	0.874	76%	0.759	S	S	*	*			trans	-120.8	5.5	178	-86.1	-164	-148.9	0	0	114.5
416	E	46.4	Very low	41.3	Very low	176 Å²	176	149 Å²	149	82%	0.822	75%	0.75	S	S	*	*	S	Bend	trans	-94.8	-21.7	-176.1	-57.8	-161.2	143.2	0	0	114.2	I418	E416-I418 VanDerWaalsContact C-N 3.26Å; E416-I418 PolarHBondContact O-N 3.16Å
417	S	45.4	Very low	40.8	Very low	87 Å²	87	143.3 Å²	143.3	61%	0.608	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	19.3	-169.8	78.2	0	0	0	0	116.5
418	I	51.7	Low	40.5	Very low	125 Å²	125	141.9 Å²	141.9	64%	0.641	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-15.6	-179.9	-70.9	178.4	0	0	0	112.2	E416	E416-I418 VanDerWaalsContact C-N 3.26Å; E416-I418 PolarHBondContact O-N 3.16Å
419	F	49.1	Very low	40.5	Very low	153 Å²	153	136.3 Å²	136.3	67%	0.671	71%	0.71	S	S	*	*	S	Bend	trans	-107.7	-6.6	179.6	-67.6	-83.2	0	0	0	114.2	T421	F419-T421 VanDerWaalsContact C-N 3.32Å; F419-T421 PolarHBondContact O-N 2.98Å
420	D	46.4	Very low	40.7	Very low	132 Å²	132	133.9 Å²	133.9	71%	0.706	70%	0.702	S	S	*	*			trans	-85.8	5.3	179.6	-69.9	-24.6	0	0	0	114.1	D422	D420-D422 PolarHBondContact O-N 3.11Å
421	T	40.7	Very low	40.8	Very low	87 Å²	87	133.6 Å²	133.6	53%	0.534	70%	0.702	S	S	.	*	S	Bend	trans	-79.5	114	168.9	54.5	0	0	0	0	109.5	F419 F423	F419-T421 VanDerWaalsContact C-N 3.32Å; F419-T421 PolarHBondContact O-N 2.98Å; T421-F423 PolarHBondContact O-N 2.96Å
422	D	35.9	Very low	41.6	Very low	159 Å²	159	127.6 Å²	127.6	85%	0.85	68%	0.675	S	S	*	*			trans	-46.6	106.1	177.1	-64.3	-64.3	0	0	0	111.6	D420 D424	D420-D422 PolarHBondContact O-N 3.11Å; D422-D424 PolarHBondContact O-N 2.77Å
423	F	39.8	Very low	43	Very low	156 Å²	156	127.5 Å²	127.5	68%	0.684	66%	0.663	S	S	*	*			trans	-80.8	38.1	178.8	-112	-83.9	0	0	0	111.9	T421 H425	T421-F423 PolarHBondContact O-N 2.96Å; F423-H425 PolarHBondContact O-N 2.93Å
424	D	35	Very low	45.1	Very low	148 Å²	148	124.7 Å²	124.7	79%	0.791	64%	0.644	S	S	*	*			trans	-78.3	54.4	179.1	-158.6	26.8	0	0	0	110.7	D422	D422-D424 PolarHBondContact O-N 2.77Å
425	H	38.5	Very low	47.6	Very low	151 Å²	151	121.1 Å²	121.1	70%	0.699	63%	0.629	S	S	*	*			trans	-108.5	96.1	-176.4	-152.5	-40.5	0	0	0	109.5	F423 C427	F423-H425 PolarHBondContact O-N 2.93Å; H425-C427 PolarHBondContact O-N 3.38Å; H425-C427 VanDerWaalsContact O-N 3.12Å
426	H	32.8	Very low	49.6	Very low	150 Å²	150	115.1 Å²	115.1	69%	0.694	60%	0.602	S	S	*	*			trans	-53.2	120.3	166.6	-76	-54.1	0	0	0	109.8
427	C	32.9	Very low	51.7	Low	75 Å²	75	109 Å²	109	51%	0.507	58%	0.577	S	S	.	*			trans	-108.5	101.9	163.7	47.9	0	0	0	0	108	H425 D429	H425-C427 PolarHBondContact O-N 3.38Å; H425-C427 VanDerWaalsContact O-N 3.12Å; C427-D429 PolarHBondContact O-N 3.28Å
428	D	31.1	Very low	54	Low	114 Å²	114	106.6 Å²	106.6	61%	0.61	56%	0.557	S	S	*	*			trans	-78.9	44.3	-178.6	-71.7	-60.2	0	0	0	113.6	E430 K433	D428-E430 PolarHBondContact O-N 3.04Å; D428-K433 WeakPolarHBondContact OD1-CE 3.13Å; D428-K433 IonicContact OD1-NZ 3.94Å; D428-K433 PolarHBondContact OD1-NZ 3.42Å
429	D	40.6	Very low	55.9	Low	111 Å²	111	100.9 Å²	100.9	59%	0.594	53%	0.527	S	S	*	.			trans	-78.2	96.1	155.7	-89.2	-50.2	0	0	0	107.5	C427 N431 S432	C427-D429 PolarHBondContact O-N 3.28Å; D429-N431 PolarHBondContact O-N 2.8Å; D429-N431 VanDerWaalsContact O-N 3.08Å; D429-S432 WeakPolarHBondContact O-CB 3.34Å; D429-S432 PolarHBondContact O-N 2.52Å; D429-S432 PolarHBondContact O-OG 3.47Å
430	E	42.5	Very low	58.2	Low	139 Å²	139	93.6 Å²	93.6	65%	0.65	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-50.7	-34.4	-178.5	-75.5	-71.1	100.6	0	0	113.6	D428 S432 K433	D428-E430 PolarHBondContact O-N 3.04Å; E430-S432 PolarHBondContact O-N 3.17Å; E430-K433 WeakPolarHBondContact OE1-CE 3.16Å; E430-K433 IonicContact OE1-NZ 2.72Å; E430-K433 PolarHBondContact OE1-NZ 2.93Å
431	N	46.1	Very low	60.5	Low	153 Å²	153	87.3 Å²	87.3	82%	0.818	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-70.7	-11.1	176.5	-90	-14.8	0	0	0	114.6	D429	D429-N431 PolarHBondContact O-N 2.8Å; D429-N431 VanDerWaalsContact O-N 3.08Å
432	S	55.5	Low	63.1	Low	43 Å²	43	83.2 Å²	83.2	30%	0.301	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-96.9	-11.6	-178.3	74.3	0	0	0	0	114	D429 E430 S434	D429-S432 WeakPolarHBondContact O-CB 3.34Å; D429-S432 PolarHBondContact O-N 2.52Å; D429-S432 PolarHBondContact O-OG 3.47Å; E430-S432 PolarHBondContact O-N 3.17Å; S432-S434 PolarHBondContact O-N 2.67Å
433	K	70.3	Confident	66	Low	86 Å²	86	76.3 Å²	76.3	37%	0.374	40%	0.399	S	S	.	.	S	Bend	trans	-70.8	127.8	-177.5	-68	177.2	179.3	173.4	0	110.2	N377 D428 E430	N377-K433 PolarHBondContact ND2-O 2.86Å; D428-K433 WeakPolarHBondContact OD1-CE 3.13Å; D428-K433 IonicContact OD1-NZ 3.94Å; D428-K433 PolarHBondContact OD1-NZ 3.42Å; E430-K433 WeakPolarHBondContact OE1-CE 3.16Å; E430-K433 IonicContact OE1-NZ 2.72Å; E430-K433 PolarHBondContact OE1-NZ 2.93Å
434	S	83.4	Confident	68.6	Low	59 Å²	59	68.9 Å²	68.9	41%	0.413	37%	0.367	S	S	.	.			trans	-69.2	132.6	-178.9	54.6	0	0	0	0	111.1	H259 N377 S432	H259-S434 PolarHBondContact CE1-OG 2.53Å; N377-S434 CarbonylContact O-C 3.59Å; N377-S434 WeakPolarHBondContact O-CA 3.48Å; N377-S434 WeakPolarHBondContact O-CB 3.48Å; S432-S434 PolarHBondContact O-N 2.67Å
435	S	88.6	Confident	71.3	Confident	52 Å²	52	64.8 Å²	64.8	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.4	-171	62.6	0	0	0	0	113.4	N377	N377-S435 PolarHBondContact N-O 3.31Å; N377-S435 PolarHBondContact O-N 3.5Å
436	I	90	Very high	73.8	Confident	61 Å²	61	63.1 Å²	63.1	31%	0.313	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.9	171.4	-57.4	179	0	0	0	107.2	F263 L374 G375 L376 L438	F263-I436 HydrophobicContact CD1-CD1 3.65Å; F263-I436 HydrophobicContact CD1-CG1 3.97Å; F263-I436 HydrophobicContact CE1-CD1 3.6Å; F263-I436 HydrophobicContact CE1-CG1 3.59Å; F263-I436 HydrophobicContact CE2-CG1 4.47Å; F263-I436 HydrophobicContact CG-CD1 4.47Å; F263-I436 HydrophobicContact CZ-CD1 4.37Å; F263-I436 HydrophobicContact CZ-CG1 3.85Å; L374-I436 HydrophobicContact CB-CG2 4.44Å; L374-I436 HydrophobicContact CD2-CG2 4.13Å; G375-I436 CarbonylContact O-C 3.51Å; G375-I436 WeakPolarHBondContact O-CA 3.32Å; L376-I436 HydrophobicContact CD2-CG1 4.17Å; L376-I436 HydrophobicContact CD2-CG2 4.16Å; I436-L438 HydrophobicContact CG2-CD2 3.92Å
437	T	90.3	Very high	76.6	Confident	48 Å²	48	59.4 Å²	59.4	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.5	170.3	57.1	0	0	0	0	109.4	L374 G375 S471	L374-T437 CarbonylContact C-O 3.52Å; L374-T437 WeakPolarHBondContact CA-O 3.43Å; G375-T437 WeakPolarHBondContact CA-OG1 3.47Å; G375-T437 PolarHBondContact N-O 2.97Å; G375-T437 PolarHBondContact O-N 3.1Å; G375-T437 PolarHBondContact O-OG1 2.88Å; T437-S471 PolarHBondContact OG1-OG 2.72Å
438	L	92.1	Very high	79.5	Confident	36 Å²	36	60.1 Å²	60.1	19%	0.188	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.3	-178.2	-59.4	-178.1	0	0	0	110.1	L356 L374 I436 P455	L356-L438 VanDerWaalsContact CD2-C 3.49Å; L356-L438 HydrophobicContact CD2-CB 3.8Å; L374-L438 HydrophobicContact CB-CD2 4.42Å; L374-L438 HydrophobicContact CD2-CD2 3.85Å; L374-L438 HydrophobicContact CG-CD2 3.62Å; I436-L438 HydrophobicContact CG2-CD2 3.92Å; L438-P455 WeakPolarHBondContact O-CD 3.28Å; L438-P455 VanDerWaalsContact O-CG 3.31Å; L438-P455 WeakPolarHBondContact O-CG 3.09Å
439	F	93.4	Very high	82.4	Confident	5 Å²	5	59.3 Å²	59.3	2%	0.022	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	-178.1	172.4	65.4	-81.1	0	0	0	109.3	L356 I373 I453 F467 V474 Y502	L356-F439 VanDerWaalsContact CD2-CA 3.43Å; I373-F439 WeakPolarHBondContact CA-O 3.28Å; I373-F439 HydrophobicContact CB-CD1 4.26Å; I373-F439 HydrophobicContact CB-CD2 3.99Å; I373-F439 HydrophobicContact CB-CE1 4.13Å; I373-F439 HydrophobicContact CB-CE2 3.86Å; I373-F439 HydrophobicContact CB-CG 4.21Å; I373-F439 HydrophobicContact CB-CZ 3.96Å; I373-F439 HydrophobicContact CD1-CD2 3.94Å; I373-F439 HydrophobicContact CD1-CE2 3.55Å; I373-F439 HydrophobicContact CD1-CZ 4.28Å; I373-F439 HydrophobicContact CG1-CD2 4.48Å; I373-F439 HydrophobicContact CG1-CE2 4.3Å; I373-F439 HydrophobicContact CG2-CD1 4.22Å; I373-F439 HydrophobicContact CG2-CD2 4.3Å; I373-F439 HydrophobicContact CG2-CE1 3.6Å; I373-F439 HydrophobicContact CG2-CE2 3.7Å; I373-F439 HydrophobicContact CG2-CZ 3.34Å; I373-F439 PolarHBondContact N-O 3.11Å; I373-F439 PolarHBondContact O-N 2.93Å; F439-I453 WeakPolarHBondContact CB-O 3.45Å; F439-F467 AromaticContact CD1-CE2 3.92Å; F439-F467 HydrophobicContact CD1-CE2 3.92Å; F439-F467 HydrophobicContact CE1-CD2 4.07Å; F439-F467 AromaticContact CE1-CE2 3.39Å; F439-F467 HydrophobicContact CE1-CE2 3.39Å; F439-F467 HydrophobicContact CE1-CZ 4.15Å; F439-F467 HydrophobicContact CZ-CD2 4.25Å; F439-F467 AromaticContact CZ-CE2 3.94Å; F439-F467 HydrophobicContact CZ-CE2 3.94Å; F439-V474 HydrophobicContact CE1-CG1 4.1Å; F439-V474 HydrophobicContact CZ-CG1 3.69Å; F439-Y502 HydrophobicContact CE2-CD1 4.06Å; F439-Y502 HydrophobicContact CE2-CD2 4.16Å; F439-Y502 AromaticContact CE2-CE1 3.7Å; F439-Y502 HydrophobicContact CE2-CE1 3.7Å; F439-Y502 AromaticContact CE2-CE2 3.78Å; F439-Y502 HydrophobicContact CE2-CE2 3.78Å; F439-Y502 HydrophobicContact CE2-CG 4.31Å; F439-Y502 AromaticContact CE2-CZ 3.59Å; F439-Y502 HydrophobicContact CZ-CD1 4.05Å; F439-Y502 AromaticContact CZ-CD2 3.97Å; F439-Y502 HydrophobicContact CZ-CD2 3.97Å; F439-Y502 HydrophobicContact CZ-CE1 4.17Å; F439-Y502 HydrophobicContact CZ-CE2 4.06Å; F439-Y502 AromaticContact CZ-CG 3.99Å; F439-Y502 HydrophobicContact CZ-CG 3.99Å
440	A	95.5	Very high	85	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	162.1	-177.8	0	0	0	0	0	113.6	L356 V360 R371 C452 I453	L356-A440 HydrophobicContact CD1-CB 4.01Å; V360-A440 HydrophobicContact CG2-CB 3.62Å; R371-A440 CarbonylContact O-C 3.45Å; R371-A440 VanDerWaalsContact O-CA 3.31Å; R371-A440 WeakPolarHBondContact O-CA 3.38Å; R371-A440 WeakPolarHBondContact O-CB 3.47Å; A440-C452 CarbonylContact O-C 3.54Å; A440-I453 HydrophobicContact CB-CB 4.28Å; A440-I453 PolarHBondContact N-O 3.27Å; A440-I453 PolarHBondContact O-N 3.41Å
441	E	95.4	Very high	87.5	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.1	165.5	-95.5	173.4	-173.3	0	0	110.2	V370 R371 I373 W450 V451 R501 Y502	V370-E441 WeakPolarHBondContact CA-O 3.4Å; V370-E441 WeakPolarHBondContact CG1-O 3.44Å; R371-E441 HydrophobicContact CB-CB 4.06Å; R371-E441 WeakPolarHBondContact CD-OE2 3.36Å; R371-E441 IonicContact CZ-OE2 3.89Å; R371-E441 PolarHBondContact N-O 2.92Å; R371-E441 IonicContact NE-OE2 2.73Å; R371-E441 IonicContact NH1-OE2 2.9Å; R371-E441 PolarHBondContact NH1-OE2 3.24Å; R371-E441 PolarHBondContact O-N 3.16Å; I373-E441 HydrophobicContact CD1-CB 3.72Å; I373-E441 HydrophobicContact CD1-CG 3.52Å; E441-W450 HydrophobicContact CB-CB 4.48Å; E441-W450 HydrophobicContact CB-CE3 3.9Å; E441-W450 HydrophobicContact CG-CB 4.33Å; E441-V451 WeakPolarHBondContact CA-O 3.39Å; E441-R501 WeakPolarHBondContact OE1-CD 3.49Å; E441-R501 IonicContact OE1-CZ 2.72Å; E441-R501 IonicContact OE1-NE 3.9Å; E441-R501 PolarHBondContact OE1-NE 3.13Å; E441-Y502 WeakPolarHBondContact CG-OH 3.15Å; E441-Y502 VanDerWaalsContact OE1-CE2 3.32Å; E441-Y502 WeakPolarHBondContact OE1-CE2 3.41Å; E441-Y502 PolarHBondContact OE1-OH 3.48Å
442	L	96.1	Very high	89.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	177.5	169.2	62.7	0	0	0	109.6	V312 L363 F368 V370 L444 W450 V451 I453	V312-L442 HydrophobicContact CB-CD2 4.38Å; V312-L442 HydrophobicContact CG1-CD2 3.86Å; V312-L442 HydrophobicContact CG2-CD2 3.51Å; L363-L442 HydrophobicContact CD1-CD1 4.5Å; L363-L442 HydrophobicContact CD1-CD2 4.25Å; F368-L442 HydrophobicContact CB-CD1 3.49Å; F368-L442 VanDerWaalsContact CB-CD1 3.49Å; F368-L442 HydrophobicContact CD1-CD1 3.78Å; F368-L442 HydrophobicContact CD2-CD1 4.41Å; F368-L442 HydrophobicContact CG-CD1 3.66Å; V370-L442 HydrophobicContact CG2-CD1 3.92Å; L442-L444 HydrophobicContact CD2-CD2 3.65Å; L442-L444 HydrophobicContact CD2-CG 4.24Å; L442-L444 HydrophobicContact CG-CD2 3.95Å; L442-L444 HydrophobicContact CG-CG 4.29Å; L442-L444 PolarHBondContact O-N 3.48Å; L442-W450 CarbonylContact O-C 3.51Å; L442-W450 WeakPolarHBondContact O-CA 3.45Å; L442-V451 PolarHBondContact N-O 2.92Å; L442-V451 PolarHBondContact O-N 2.85Å; L442-I453 HydrophobicContact CB-CD1 3.74Å; L442-I453 HydrophobicContact CB-CG1 4.42Å; L442-I453 HydrophobicContact CD2-CD1 4.09Å
443	F	95.4	Very high	91.7	Very high	15 Å²	15	38.8 Å²	38.8	7%	0.066	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	109.2	169.4	-171.5	-94	0	0	0	109.7	D369 P445 W450 R553	D369-F443 HydrophobicContact CB-CB 3.96Å; D369-F443 PolarHBondContact O-N 3.37Å; F443-P445 WeakPolarHBondContact O-CD 3.38Å; F443-W450 HydrophobicContact CB-CD2 3.93Å; F443-W450 HydrophobicContact CB-CE3 3.82Å; F443-W450 HydrophobicContact CB-CH2 4.15Å; F443-W450 HydrophobicContact CB-CZ2 4.23Å; F443-W450 HydrophobicContact CB-CZ3 3.94Å; F443-W450 AromaticContact CD2-CD1 3.9Å; F443-W450 HydrophobicContact CD2-CD2 4.11Å; F443-W450 AromaticContact CD2-CE2 3.92Å; F443-W450 HydrophobicContact CD2-CG 4.14Å; F443-W450 AromaticContact CD2-NE1 3.78Å; F443-W450 VanDerWaalsContact N-CE3 3.33Å; F443-R553 HydrophobicContact CD2-CG 4.27Å; F443-R553 HydrophobicContact CE1-CG 4.2Å; F443-R553 HydrophobicContact CE2-CB 4.24Å; F443-R553 HydrophobicContact CE2-CG 3.79Å; F443-R553 HydrophobicContact CZ-CG 3.76Å
444	L	94.5	Very high	92.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113.1	174	-75.9	-170.2	0	0	0	110.2	W307 I309 V312 F368 L442 K446 L447 N448 R449 V451	W307-L444 HydrophobicContact CB-CD2 4.48Å; I309-L444 HydrophobicContact CG1-CD1 4.28Å; V312-L444 HydrophobicContact CG2-CD1 4.36Å; V312-L444 HydrophobicContact CG2-CD2 4.09Å; F368-L444 HydrophobicContact CE1-CD2 4.3Å; L442-L444 HydrophobicContact CD2-CD2 3.65Å; L442-L444 HydrophobicContact CD2-CG 4.24Å; L442-L444 HydrophobicContact CG-CD2 3.95Å; L442-L444 HydrophobicContact CG-CG 4.29Å; L442-L444 PolarHBondContact O-N 3.48Å; L444-K446 PolarHBondContact O-N 3.4Å; L444-L447 HydrophobicContact CB-CB 4.39Å; L444-L447 HydrophobicContact CB-CD1 4.5Å; L444-L447 HydrophobicContact CB-CG 4.37Å; L444-L447 HydrophobicContact CD1-CD1 4.09Å; L444-L447 PolarHBondContact O-N 2.84Å; L444-N448 PolarHBondContact O-N 3.19Å; L444-R449 PolarHBondContact N-O 2.9Å; L444-R449 VanDerWaalsContact N-O 3.14Å; L444-V451 HydrophobicContact CB-CG2 4.25Å; L444-V451 HydrophobicContact CD1-CG2 4Å; L444-V451 HydrophobicContact CG-CG2 4.04Å
445	P	92	Very high	92.9	Very high	62 Å²	62	33.2 Å²	33.2	40%	0.403	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-36.1	-178.9	-24.9	35.2	0	0	0	112.8	F443 L447 N448	F443-P445 WeakPolarHBondContact O-CD 3.38Å; P445-L447 PolarHBondContact O-N 3.24Å; P445-N448 PolarHBondContact O-N 3.04Å; P445-N448 VanDerWaalsContact O-N 3.16Å
446	K	91.5	Very high	92.6	Very high	116 Å²	116	32.5 Å²	32.5	50%	0.504	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.8	177.2	-167.4	177.7	-172.1	175.2	0	114	L306 W307 L444	L306-K446 PolarHBondContact O-NZ 3.32Å; W307-K446 WeakPolarHBondContact O-CD 3.5Å; L444-K446 PolarHBondContact O-N 3.4Å
447	L	92.2	Very high	91.7	Very high	71 Å²	71	33.3 Å²	33.3	37%	0.372	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-10.4	177.9	-56.8	-177.6	0	0	0	112.7	I309 L444 P445 R449 V451	I309-L447 HydrophobicContact CD1-CD1 4Å; I309-L447 HydrophobicContact CG1-CD1 4.14Å; L444-L447 HydrophobicContact CB-CB 4.39Å; L444-L447 HydrophobicContact CB-CD1 4.5Å; L444-L447 HydrophobicContact CB-CG 4.37Å; L444-L447 HydrophobicContact CD1-CD1 4.09Å; L444-L447 PolarHBondContact O-N 2.84Å; P445-L447 PolarHBondContact O-N 3.24Å; L447-R449 HydrophobicContact CB-CG 3.91Å; L447-R449 PolarHBondContact O-N 3Å; L447-V451 HydrophobicContact CD1-CG2 4.08Å
448	N	92.4	Very high	90.8	Very high	90 Å²	90	36.4 Å²	36.4	48%	0.481	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	42.5	-177.3	-167.5	-4.7	0	0	0	112.7	L444 P445 K556	L444-N448 PolarHBondContact O-N 3.19Å; P445-N448 PolarHBondContact O-N 3.04Å; P445-N448 VanDerWaalsContact O-N 3.16Å; N448-K556 PolarHBondContact ND2-NZ 3.33Å; N448-K556 PolarHBondContact O-NZ 3.4Å; N448-K556 PolarHBondContact OD1-NZ 3.03Å
449	R	93.6	Very high	90.1	Very high	97 Å²	97	38.3 Å²	38.3	37%	0.366	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	165.4	177.9	65.7	177.7	-178.5	84.7	-7.7	111.2	L444 L447 D463	L444-R449 PolarHBondContact N-O 2.9Å; L444-R449 VanDerWaalsContact N-O 3.14Å; L447-R449 HydrophobicContact CB-CG 3.91Å; L447-R449 PolarHBondContact O-N 3Å; R449-D463 IonicContact CZ-OD1 3.17Å; R449-D463 VanDerWaalsContact CZ-OD1 3.23Å; R449-D463 IonicContact CZ-OD2 2.7Å; R449-D463 IonicContact NH1-OD1 3.59Å; R449-D463 PolarHBondContact NH1-OD1 3.28Å; R449-D463 IonicContact NH1-OD2 2.69Å; R449-D463 IonicContact NH2-OD1 2.69Å; R449-D463 PolarHBondContact NH2-OD1 3.35Å; R449-D463 IonicContact NH2-OD2 3.92Å; R449-D463 PolarHBondContact NH2-OD2 2.91Å
450	W	95	Very high	89.6	Confident	6 Å²	6	38.4 Å²	38.4	2%	0.023	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	148.4	167.8	-60.6	87.5	0	0	0	111.3	D369 R371 E441 L442 F443	D369-W450 HydrophobicContact CB-CH2 3.89Å; D369-W450 HydrophobicContact CB-CZ3 4.41Å; D369-W450 VanDerWaalsContact O-CZ3 3.27Å; D369-W450 WeakPolarHBondContact O-CZ3 3.27Å; R371-W450 HydrophobicContact CB-CZ3 4.41Å; R371-W450 HydrophobicContact CG-CE3 4.31Å; R371-W450 HydrophobicContact CG-CH2 3.87Å; R371-W450 HydrophobicContact CG-CZ3 3.7Å; E441-W450 HydrophobicContact CB-CB 4.48Å; E441-W450 HydrophobicContact CB-CE3 3.9Å; E441-W450 HydrophobicContact CG-CB 4.33Å; L442-W450 CarbonylContact O-C 3.51Å; L442-W450 WeakPolarHBondContact O-CA 3.45Å; F443-W450 HydrophobicContact CB-CD2 3.93Å; F443-W450 HydrophobicContact CB-CE3 3.82Å; F443-W450 HydrophobicContact CB-CH2 4.15Å; F443-W450 HydrophobicContact CB-CZ2 4.23Å; F443-W450 HydrophobicContact CB-CZ3 3.94Å; F443-W450 AromaticContact CD2-CD1 3.9Å; F443-W450 HydrophobicContact CD2-CD2 4.11Å; F443-W450 AromaticContact CD2-CE2 3.92Å; F443-W450 HydrophobicContact CD2-CG 4.14Å; F443-W450 AromaticContact CD2-NE1 3.78Å; F443-W450 VanDerWaalsContact N-CE3 3.33Å
451	V	94.5	Very high	89.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125	-177.1	174.3	0	0	0	0	107.4	E441 L442 L444 L447 V462 D463	E441-V451 WeakPolarHBondContact CA-O 3.39Å; L442-V451 PolarHBondContact N-O 2.92Å; L442-V451 PolarHBondContact O-N 2.85Å; L444-V451 HydrophobicContact CB-CG2 4.25Å; L444-V451 HydrophobicContact CD1-CG2 4Å; L444-V451 HydrophobicContact CG-CG2 4.04Å; L447-V451 HydrophobicContact CD1-CG2 4.08Å; V451-V462 HydrophobicContact CG1-CG1 3.51Å; V451-D463 HydrophobicContact CG1-CB 3.89Å
452	C	94.1	Very high	89	Confident	9 Å²	9	39.8 Å²	39.8	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	142	176.5	-171.6	0	0	0	0	110.6	A440 V462 D463 V465	A440-C452 CarbonylContact O-C 3.54Å; C452-V462 CarbonylContact O-C 3.56Å; C452-V462 WeakPolarHBondContact O-CA 3.32Å; C452-D463 PolarHBondContact O-N 2.89Å; C452-V465 HydrophobicContact CB-CG2 4.31Å
453	I	94.5	Very high	88.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	100.1	171.3	-57.6	175.4	0	0	0	106.2	V312 L316 L356 L359 L363 F439 A440 L442 V462	V312-I453 HydrophobicContact CG1-CD1 3.51Å; V312-I453 HydrophobicContact CG1-CG1 3.9Å; L316-I453 HydrophobicContact CD1-CG2 3.96Å; L316-I453 HydrophobicContact CD2-CG2 3.95Å; L316-I453 HydrophobicContact CG-CG2 4.45Å; L356-I453 HydrophobicContact CD1-CG2 4.38Å; L359-I453 HydrophobicContact CD2-CG2 3.85Å; L363-I453 HydrophobicContact CD1-CD1 4.11Å; F439-I453 WeakPolarHBondContact CB-O 3.45Å; A440-I453 HydrophobicContact CB-CB 4.28Å; A440-I453 PolarHBondContact N-O 3.27Å; A440-I453 PolarHBondContact O-N 3.41Å; L442-I453 HydrophobicContact CB-CD1 3.74Å; L442-I453 HydrophobicContact CB-CG1 4.42Å; L442-I453 HydrophobicContact CD2-CD1 4.09Å; I453-V462 HydrophobicContact CG1-CG1 4.41Å
454	D	91.4	Very high	87.9	Confident	24 Å²	24	48 Å²	48	13%	0.128	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.3	176.2	173.5	12.2	0	0	0	108.6	S456 G460 V461	D454-S456 PolarHBondContact O-N 3.29Å; D454-S456 WeakPolarHBondContact OD1-CB 3.35Å; D454-S456 PolarHBondContact OD1-N 3.32Å; D454-S456 PolarHBondContact OD1-OG 3.47Å; D454-S456 PolarHBondContact OD2-OG 2.83Å; D454-G460 CarbonylContact O-C 3.59Å; D454-G460 WeakPolarHBondContact O-CA 3.35Å; D454-V461 PolarHBondContact N-O 2.71Å; D454-V461 PolarHBondContact O-N 2.69Å
455	P	88.6	Confident	86.7	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.032	28%	0.284	C	S	.	.			trans	-75.7	-0.9	179.5	33.2	-36.2	0	0	0	113.8	L320 E352 L356 L438 S457	L320-P455 WeakPolarHBondContact CD1-O 3.11Å; L320-P455 HydrophobicContact CD2-CB 4.28Å; E352-P455 HydrophobicContact CB-CB 4.32Å; L356-P455 HydrophobicContact CB-CB 4.47Å; L356-P455 HydrophobicContact CD1-CB 4.41Å; L356-P455 HydrophobicContact CD1-CG 4.33Å; L356-P455 HydrophobicContact CD2-CG 4.34Å; L438-P455 WeakPolarHBondContact O-CD 3.28Å; L438-P455 VanDerWaalsContact O-CG 3.31Å; L438-P455 WeakPolarHBondContact O-CG 3.09Å; P455-S457 PolarHBondContact O-N 3.33Å
456	S	82	Confident	85.2	Confident	37 Å²	37	52.3 Å²	52.3	26%	0.259	28%	0.284	S	S	.	.			trans	-49	127	-169.3	60.8	0	0	0	0	115.1	D454 G460	D454-S456 PolarHBondContact O-N 3.29Å; D454-S456 WeakPolarHBondContact OD1-CB 3.35Å; D454-S456 PolarHBondContact OD1-N 3.32Å; D454-S456 PolarHBondContact OD1-OG 3.47Å; D454-S456 PolarHBondContact OD2-OG 2.83Å; S456-G460 WeakPolarHBondContact O-CA 3.39Å; S456-G460 PolarHBondContact O-N 3.08Å
457	S	70.7	Confident	83.7	Confident	78 Å²	78	49.3 Å²	49.3	55%	0.545	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	139.4	179.1	-157.6	0	0	0	0	113.5	E352 P455	E352-S457 WeakPolarHBondContact OE1-CB 3.46Å; E352-S457 PolarHBondContact OE2-N 2.84Å; P455-S457 PolarHBondContact O-N 3.33Å
458	P	72.2	Confident	81.9	Confident	113 Å²	113	52.7 Å²	52.7	73%	0.734	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	cis	-101.5	-6.1	12.6	37.5	-35.2	0	0	0	116.1
459	T	76.9	Confident	80	Confident	76 Å²	76	55.8 Å²	55.8	47%	0.466	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-5.7	-175.1	54.6	0	0	0	0	114	V317 L320	V317-T459 WeakPolarHBondContact CG2-O 3.08Å; L320-T459 VanDerWaalsContact CD1-C 3.43Å; L320-T459 WeakPolarHBondContact CD1-O 3.35Å
460	G	82.5	Confident	78.6	Confident	7 Å²	7	54 Å²	54	7%	0.072	31%	0.305	C	S	.	.			trans	64	174.1	-157.4	0	0	0	0	0	112.5	D454 S456	D454-G460 CarbonylContact O-C 3.59Å; D454-G460 WeakPolarHBondContact O-CA 3.35Å; S456-G460 WeakPolarHBondContact O-CA 3.39Å; S456-G460 PolarHBondContact O-N 3.08Å
461	V	88.2	Confident	78.2	Confident	28 Å²	28	53.9 Å²	53.9	17%	0.17	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	132.2	179.2	-167.3	0	0	0	0	109.6	D454 K464	D454-V461 PolarHBondContact N-O 2.71Å; D454-V461 PolarHBondContact O-N 2.69Å; V461-K464 HydrophobicContact CG1-CB 3.77Å; V461-K464 HydrophobicContact CG1-CD 3.89Å; V461-K464 HydrophobicContact CG1-CG 4.31Å
462	V	91.2	Very high	77.9	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.4	174.3	-174.5	0	0	0	0	110	I309 V312 E313 L316 V451 C452 I453 K464	I309-V462 HydrophobicContact CG2-CB 4.05Å; I309-V462 HydrophobicContact CG2-CG1 3.85Å; V312-V462 HydrophobicContact CB-CG1 4.23Å; V312-V462 HydrophobicContact CB-CG2 4.47Å; V312-V462 HydrophobicContact CG1-CG1 4.05Å; V312-V462 HydrophobicContact CG1-CG2 4.08Å; E313-V462 HydrophobicContact CB-CG2 4.36Å; E313-V462 HydrophobicContact CG-CB 3.6Å; E313-V462 HydrophobicContact CG-CG2 3.53Å; L316-V462 HydrophobicContact CD2-CG2 3.92Å; V451-V462 HydrophobicContact CG1-CG1 3.51Å; C452-V462 CarbonylContact O-C 3.56Å; C452-V462 WeakPolarHBondContact O-CA 3.32Å; I453-V462 HydrophobicContact CG1-CG1 4.41Å; V462-K464 PolarHBondContact O-N 2.9Å
463	D	89	Confident	77.9	Confident	51 Å²	51	54.9 Å²	54.9	27%	0.273	31%	0.311	S	S	.	.	S	Bend	trans	63.9	-20.2	177.4	-153.9	42.7	0	0	0	117.2	I309 R449 V451 C452	I309-D463 HydrophobicContact CD1-CB 3.8Å; I309-D463 WeakPolarHBondContact CD1-OD2 3.49Å; I309-D463 HydrophobicContact CG1-CB 4.23Å; I309-D463 HydrophobicContact CG2-CB 4.38Å; R449-D463 IonicContact CZ-OD1 3.17Å; R449-D463 VanDerWaalsContact CZ-OD1 3.23Å; R449-D463 IonicContact CZ-OD2 2.7Å; R449-D463 IonicContact NH1-OD1 3.59Å; R449-D463 PolarHBondContact NH1-OD1 3.28Å; R449-D463 IonicContact NH1-OD2 2.69Å; R449-D463 IonicContact NH2-OD1 2.69Å; R449-D463 PolarHBondContact NH2-OD1 3.35Å; R449-D463 IonicContact NH2-OD2 3.92Å; R449-D463 PolarHBondContact NH2-OD2 2.91Å; V451-D463 HydrophobicContact CG1-CB 3.89Å; C452-D463 PolarHBondContact O-N 2.89Å
464	K	79.4	Confident	77.9	Confident	136 Å²	136	54.9 Å²	54.9	59%	0.591	31%	0.311	S	S	*	.	S	Bend	trans	-95.3	117.4	175.1	-57	158.8	-167.3	141.3	0	108.9	V461 V462 N466	V461-K464 HydrophobicContact CG1-CB 3.77Å; V461-K464 HydrophobicContact CG1-CD 3.89Å; V461-K464 HydrophobicContact CG1-CG 4.31Å; V462-K464 PolarHBondContact O-N 2.9Å; K464-N466 VanDerWaalsContact C-N 3.32Å; K464-N466 PolarHBondContact O-N 3.47Å
465	V	69.6	Low	78.1	Confident	80 Å²	80	53.8 Å²	53.8	49%	0.485	31%	0.305	S	S	.	.			trans	-73.5	87	175.2	-177.9	0	0	0	0	109.1	C452 F467 Y502	C452-V465 HydrophobicContact CB-CG2 4.31Å; V465-F467 HydrophobicContact CG1-CB 3.67Å; V465-F467 PolarHBondContact O-N 3.09Å; V465-F467 VanDerWaalsContact O-N 3.11Å; V465-Y502 HydrophobicContact CB-CE1 4.44Å; V465-Y502 HydrophobicContact CG1-CD1 3.56Å; V465-Y502 HydrophobicContact CG1-CE1 3.71Å; V465-Y502 HydrophobicContact CG2-CD1 4.47Å; V465-Y502 HydrophobicContact CG2-CE1 3.84Å
466	N	60	Low	78.5	Confident	74 Å²	74	53.6 Å²	53.6	40%	0.396	30%	0.304	S	S	.	.			trans	-83	27.4	-179.7	-137.8	11.2	0	0	0	112	K464 K468	K464-N466 VanDerWaalsContact C-N 3.32Å; K464-N466 PolarHBondContact O-N 3.47Å; N466-K468 VanDerWaalsContact C-N 3.35Å; N466-K468 PolarHBondContact O-N 3.26Å
467	F	60.5	Low	79.2	Confident	53 Å²	53	51.9 Å²	51.9	23%	0.232	29%	0.292	C	S	.	.			trans	-75.3	80.7	-163.3	-157.9	-95.1	0	0	0	112.4	F439 V465 S471	F439-F467 AromaticContact CD1-CE2 3.92Å; F439-F467 HydrophobicContact CD1-CE2 3.92Å; F439-F467 HydrophobicContact CE1-CD2 4.07Å; F439-F467 AromaticContact CE1-CE2 3.39Å; F439-F467 HydrophobicContact CE1-CE2 3.39Å; F439-F467 HydrophobicContact CE1-CZ 4.15Å; F439-F467 HydrophobicContact CZ-CD2 4.25Å; F439-F467 AromaticContact CZ-CE2 3.94Å; F439-F467 HydrophobicContact CZ-CE2 3.94Å; V465-F467 HydrophobicContact CG1-CB 3.67Å; V465-F467 PolarHBondContact O-N 3.09Å; V465-F467 VanDerWaalsContact O-N 3.11Å; F467-S471 WeakPolarHBondContact CZ-OG 3.49Å
468	K	53	Low	80.4	Confident	141 Å²	141	48.2 Å²	48.2	61%	0.613	27%	0.266	S	S	*	.			trans	-84.7	152.9	168.1	-59.1	168	-171.3	170.4	0	108.6	N466	N466-K468 VanDerWaalsContact C-N 3.35Å; N466-K468 PolarHBondContact O-N 3.26Å
469	H	53	Low	81.4	Confident	155 Å²	155	43.4 Å²	43.4	72%	0.718	24%	0.235	S	C	*	.	S	Bend	trans	76.2	91.1	170.7	-42.9	-73.3	0	0	0	117.3	S471	H469-S471 PolarHBondContact O-N 3.07Å
470	G	65.5	Low	82.2	Confident	59 Å²	59	39.9 Å²	39.9	61%	0.608	21%	0.213	S	C	*	.				78.2	-13.1	126.3	0	0	0	0	0	120.8	N377 L472	N377-G470 PolarHBondContact OD1-O 2.82Å; G470-L472 PolarHBondContact O-N 3.42Å
471	S	85.1	Confident	82.7	Confident	5 Å²	5	42.8 Å²	42.8	4%	0.035	22%	0.222	C	C	.	.			trans	-66.2	123.6	-177.8	-60.8	0	0	0	0	112.2	T437 F467 H469 V503	T437-S471 PolarHBondContact OG1-OG 2.72Å; F467-S471 WeakPolarHBondContact CZ-OG 3.49Å; H469-S471 PolarHBondContact O-N 3.07Å; S471-V503 WeakPolarHBondContact O-CG2 3.43Å
472	L	89	Confident	82.5	Confident	30 Å²	30	43.1 Å²	43.1	16%	0.157	23%	0.226	C	C	.	.	S	Bend	trans	-85.2	-29.5	-178.8	-69.4	175.3	0	0	0	112.9	L376 G470 H513 R514	L376-L472 PolarHBondContact O-N 2.91Å; G470-L472 PolarHBondContact O-N 3.42Å; L472-H513 HydrophobicContact CD1-CB 4.35Å; L472-H513 HydrophobicContact CD2-CB 3.82Å; L472-R514 WeakPolarHBondContact O-CD 3.48Å; L472-R514 PolarHBondContact O-NH1 3.19Å
473	Y	93.6	Very high	81.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146	174.2	-51.2	-105.4	0	0	0	109.4	H256 V260 G375 L376 P378 R514 I515 W520	H256-Y473 AromaticContact CE1-CE2 3.99Å; H256-Y473 AromaticContact NE2-CE2 3.64Å; H256-Y473 AromaticContact NE2-CZ 3.61Å; H256-Y473 PolarHBondContact NE2-OH 2.96Å; V260-Y473 HydrophobicContact CG2-CD2 4.37Å; V260-Y473 HydrophobicContact CG2-CE2 3.8Å; G375-Y473 CarbonylContact C-O 3.56Å; L376-Y473 PolarHBondContact N-O 2.84Å; L376-Y473 PolarHBondContact O-N 3.03Å; L376-Y473 VanDerWaalsContact O-N 3.11Å; P378-Y473 HydrophobicContact CG-CD2 4.16Å; P378-Y473 HydrophobicContact CG-CE2 3.79Å; Y473-R514 HydrophobicContact CD1-CG 4.48Å; Y473-R514 HydrophobicContact CE1-CB 4.19Å; Y473-R514 HydrophobicContact CE1-CG 3.95Å; Y473-R514 HydrophobicContact CE2-CG 4.15Å; Y473-R514 WeakPolarHBondContact OH-CA 3.49Å; Y473-I515 WeakPolarHBondContact OH-CG1 3.26Å; Y473-I515 PolarHBondContact OH-N 3.47Å; Y473-W520 AromaticContact CD1-CD2 3.97Å; Y473-W520 HydrophobicContact CD1-CD2 3.97Å; Y473-W520 AromaticContact CD1-CE2 3.99Å; Y473-W520 AromaticContact CD1-CE3 3.71Å; Y473-W520 HydrophobicContact CD1-CE3 3.71Å; Y473-W520 AromaticContact CD1-CH2 3.53Å; Y473-W520 HydrophobicContact CD1-CH2 3.53Å; Y473-W520 AromaticContact CD1-CZ2 3.79Å; Y473-W520 HydrophobicContact CD1-CZ2 3.79Å; Y473-W520 AromaticContact CD1-CZ3 3.49Å; Y473-W520 HydrophobicContact CD1-CZ3 3.49Å; Y473-W520 VanDerWaalsContact CD1-CZ3 3.49Å; Y473-W520 AromaticContact CE1-CD2 3.96Å; Y473-W520 HydrophobicContact CE1-CD2 3.96Å; Y473-W520 AromaticContact CE1-CE3 3.62Å; Y473-W520 HydrophobicContact CE1-CE3 3.62Å; Y473-W520 HydrophobicContact CE1-CH2 4.3Å; Y473-W520 AromaticContact CE1-CZ3 3.81Å; Y473-W520 HydrophobicContact CE1-CZ3 3.81Å; Y473-W520 HydrophobicContact CG-CH2 4.19Å; Y473-W520 HydrophobicContact CG-CZ3 4.33Å
474	V	94.4	Very high	81.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	116.9	176.3	-176.6	0	0	0	0	108.2	I373 L374 F439 L498 S499 Y502 V503	I373-V474 HydrophobicContact CG2-CG1 3.36Å; L374-V474 WeakPolarHBondContact O-CA 3.25Å; F439-V474 HydrophobicContact CE1-CG1 4.1Å; F439-V474 HydrophobicContact CZ-CG1 3.69Å; V474-L498 HydrophobicContact CG1-CB 4.21Å; V474-L498 CarbonylContact O-C 3.59Å; V474-L498 PolarHBondContact O-N 2.75Å; V474-S499 PolarHBondContact N-OG 3.24Å; V474-S499 PolarHBondContact O-N 2.92Å; V474-S499 VanDerWaalsContact O-N 3.17Å; V474-S499 PolarHBondContact O-OG 3.49Å; V474-Y502 HydrophobicContact CG1-CD2 3.81Å; V474-Y502 HydrophobicContact CG1-CG 4.31Å; V474-V503 HydrophobicContact CG2-CG2 3.83Å
475	V	96.2	Very high	81.7	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.6	-175.3	-68.8	0	0	0	0	111.5	L264 I373 L374 L376 V496 W520 L524	L264-V475 HydrophobicContact CD2-CG1 4.1Å; L264-V475 HydrophobicContact CD2-CG2 4.33Å; I373-V475 WeakPolarHBondContact CA-O 3.42Å; L374-V475 HydrophobicContact CB-CG2 4.3Å; L374-V475 PolarHBondContact N-O 2.97Å; L374-V475 PolarHBondContact O-N 3.27Å; L376-V475 HydrophobicContact CD1-CG2 3.93Å; V475-V496 CarbonylContact C-O 3.53Å; V475-V496 WeakPolarHBondContact CA-O 3.49Å; V475-W520 HydrophobicContact CG1-CH2 3.8Å; V475-W520 HydrophobicContact CG1-CZ2 3.91Å; V475-L524 HydrophobicContact CG1-CD2 4.44Å
476	G	95.9	Very high	82.5	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.7	174.5	0	0	0	0	0	112	I372 P495 V496	I372-G476 CarbonylContact O-C 3.6Å; I372-G476 WeakPolarHBondContact O-CA 3.21Å; G476-P495 CarbonylContact O-C 3.43Å; G476-P495 WeakPolarHBondContact O-CA 3.41Å; G476-V496 PolarHBondContact N-O 3.44Å; G476-V496 PolarHBondContact O-N 3.45Å
477	A	96.7	Very high	83.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.9	172.2	0	0	0	0	0	110.4	N271 R364 R371 I372 F531	N271-A477 HydrophobicContact CB-CB 3.91Å; N271-A477 PolarHBondContact OD1-O 2.93Å; R364-A477 PolarHBondContact NH2-O 2.93Å; R371-A477 CarbonylContact C-O 3.59Å; R371-A477 VanDerWaalsContact CA-O 3.28Å; R371-A477 WeakPolarHBondContact CA-O 3.1Å; I372-A477 HydrophobicContact CG2-CB 4.18Å; I372-A477 PolarHBondContact N-O 2.93Å; I372-A477 PolarHBondContact O-N 2.97Å; A477-F531 HydrophobicContact CB-CE1 3.78Å; A477-F531 HydrophobicContact CB-CZ 4.22Å
478	C	95.9	Very high	85.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.			trans	-74.7	166.3	170.9	-66.2	0	0	0	0	111.4	N271 R371 V480 R493 N494	N271-C478 PolarHBondContact ND2-O 3.38Å; N271-C478 PolarHBondContact OD1-O 3.17Å; R371-C478 WeakPolarHBondContact CG-SG 3.47Å; C478-V480 PolarHBondContact O-N 3.38Å; C478-R493 VanDerWaalsContact SG-CZ 3.57Å; C478-N494 WeakPolarHBondContact CB-OD1 3.34Å; C478-N494 PolarHBondContact N-OD1 2.65Å; C478-N494 PolarHBondContact O-ND2 3.11Å; C478-N494 VanDerWaalsContact O-ND2 3.13Å
479	S	95	Very high	87.3	Confident	13 Å²	13	37.8 Å²	37.8	9%	0.091	21%	0.212	C	C	.	.			trans	-49.1	126.6	169.2	-157	0	0	0	0	111	D275 R280 R481	D275-S479 PolarHBondContact OD1-OG 2.77Å; D275-S479 WeakPolarHBondContact OD2-CA 3.45Å; D275-S479 PolarHBondContact OD2-OG 3.11Å; R280-S479 PolarHBondContact NH2-OG 2.95Å; S479-R481 PolarHBondContact OG-O 2.78Å
480	V	93.6	Very high	89.3	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	18%	0.18	C	C	.	.	S	Bend	trans	-87	-27.6	167.7	-72.6	0	0	0	0	110.7	D275 C478 F531 D534 A535 Y538 A540	D275-V480 HydrophobicContact CB-CG2 4.48Å; D275-V480 WeakPolarHBondContact OD2-CG2 3.3Å; D275-V480 PolarHBondContact OD2-N 3.29Å; C478-V480 PolarHBondContact O-N 3.38Å; V480-F531 HydrophobicContact CG1-CB 4.43Å; V480-F531 HydrophobicContact CG1-CD1 4.05Å; V480-D534 HydrophobicContact CB-CB 4.18Å; V480-D534 HydrophobicContact CG1-CB 4.17Å; V480-D534 HydrophobicContact CG2-CB 4.08Å; V480-A535 HydrophobicContact CB-CB 4.15Å; V480-A535 HydrophobicContact CG1-CB 4.42Å; V480-A535 WeakPolarHBondContact O-CA 3.48Å; V480-Y538 HydrophobicContact CG2-CD2 4.29Å; V480-Y538 HydrophobicContact CG2-CE2 4.18Å; V480-A540 WeakPolarHBondContact O-CB 3.31Å
481	R	92.5	Very high	90.7	Very high	68 Å²	68	31.1 Å²	31.1	26%	0.257	17%	0.17	S	C	.	.	S	Bend	trans	-92.8	109.7	173.7	-178.9	-178.3	176.7	-177.1	6.3	110.8	D275 S277 R280 S479 Y538	D275-R481 HydrophobicContact CB-CB 4.07Å; D275-R481 WeakPolarHBondContact O-CD 3.49Å; D275-R481 PolarHBondContact O-NH1 3.13Å; D275-R481 PolarHBondContact OD2-N 2.51Å; S277-R481 PolarHBondContact OG-NH1 3.4Å; S277-R481 PolarHBondContact OG-NH2 2.95Å; S277-R481 VanDerWaalsContact OG-NH2 3.15Å; R280-R481 PolarHBondContact NH2-O 3.2Å; S479-R481 PolarHBondContact OG-O 2.78Å; R481-Y538 HydrophobicContact CB-CD1 4.14Å; R481-Y538 HydrophobicContact CB-CD2 3.65Å; R481-Y538 HydrophobicContact CB-CE1 4.34Å; R481-Y538 HydrophobicContact CB-CE2 3.88Å; R481-Y538 HydrophobicContact CB-CG 3.8Å; R481-Y538 HydrophobicContact CG-CD1 3.84Å; R481-Y538 HydrophobicContact CG-CD2 4.27Å; R481-Y538 HydrophobicContact CG-CE1 4.11Å; R481-Y538 HydrophobicContact CG-CG 3.93Å
482	S	83.3	Confident	91.1	Very high	35 Å²	35	32.9 Å²	32.9	25%	0.245	19%	0.189	C	C	.	.			trans	-73	155.1	179	-167.9	0	0	0	0	113.2	S484	S482-S484 PolarHBondContact OG-N 3.28Å; S482-S484 PolarHBondContact OG-O 2.68Å
483	T	76.3	Confident	91.4	Very high	71 Å²	71	31.6 Å²	31.6	44%	0.436	18%	0.182	S	C	.	.	S	Bend	trans	-121.1	-8.2	170	51.9	0	0	0	0	112.8	R364	R364-T483 PolarHBondContact O-OG1 3.45Å
484	S	83.9	Confident	91.4	Very high	51 Å²	51	31.7 Å²	31.7	36%	0.357	18%	0.182	S	C	.	.	S	Bend	trans	-156.6	151.1	-176.8	175.7	0	0	0	0	110.8	S482 E486 L487	S482-S484 PolarHBondContact OG-N 3.28Å; S482-S484 PolarHBondContact OG-O 2.68Å; S484-E486 PolarHBondContact O-N 2.89Å; S484-E486 VanDerWaalsContact O-N 3.16Å; S484-E486 PolarHBondContact OG-N 2.7Å; S484-L487 PolarHBondContact O-N 3.48Å
485	L	82.4	Confident	91.5	Very high	155 Å²	155	32.3 Å²	32.3	81%	0.812	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-60.9	-23.9	174.8	-150.8	73.2	0	0	0	112.3	L487	L485-L487 VanDerWaalsContact C-N 3.27Å; L485-L487 PolarHBondContact O-N 2.94Å
486	E	85.9	Confident	91.5	Very high	117 Å²	117	33.2 Å²	33.2	55%	0.547	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-77.1	-4.2	174.4	-63.2	-174.5	-159.4	0	0	114.9	S484 T550 R553	S484-E486 PolarHBondContact O-N 2.89Å; S484-E486 VanDerWaalsContact O-N 3.16Å; S484-E486 PolarHBondContact OG-N 2.7Å; E486-T550 WeakPolarHBondContact O-CG2 3.49Å; E486-R553 PolarHBondContact O-NH1 3.37Å; E486-R553 IonicContact OE2-NH2 2.79Å
487	L	90.8	Very high	91.4	Very high	15 Å²	15	35 Å²	35	8%	0.079	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-128.1	9.7	-171.6	-63.8	176.2	0	0	0	113.8	G367 D369 S484 L485	G367-L487 WeakPolarHBondContact O-CD1 3.43Å; D369-L487 HydrophobicContact CB-CD2 3.69Å; S484-L487 PolarHBondContact O-N 3.48Å; L485-L487 VanDerWaalsContact C-N 3.27Å; L485-L487 PolarHBondContact O-N 2.94Å
488	V	91.1	Very high	91.3	Very high	14 Å²	14	35 Å²	35	9%	0.085	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-60.7	146.7	178.1	-64.2	0	0	0	0	112.2	V542 L548 T550	V488-V542 HydrophobicContact CB-CG1 4.17Å; V488-V542 HydrophobicContact CB-CG2 4.3Å; V488-V542 HydrophobicContact CG2-CB 4.49Å; V488-V542 HydrophobicContact CG2-CG1 3.97Å; V488-V542 HydrophobicContact CG2-CG2 3.66Å; V488-L548 HydrophobicContact CG2-CD1 3.63Å; V488-L548 HydrophobicContact CG2-CD2 4.27Å; V488-L548 HydrophobicContact CG2-CG 4.48Å; V488-T550 PolarHBondContact O-OG1 3.38Å; V488-T550 VanDerWaalsContact O-OG1 3.09Å
489	S	93.3	Very high	91.2	Very high	1 Å²	1	35 Å²	35	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.5	175.6	-169	0	0	0	0	109.1	A540 L541 V542	S489-A540 PolarHBondContact N-O 2.88Å; S489-L541 CarbonylContact O-C 3.6Å; S489-L541 WeakPolarHBondContact O-CA 3.38Å; S489-V542 PolarHBondContact O-N 2.82Å
490	Y	94.2	Very high	91.1	Very high	8 Å²	8	35.4 Å²	35.4	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	155.5	172.7	61	-96.5	0	0	0	110.8	G492 R493 V542 K544 L548 F551	Y490-G492 PolarHBondContact O-N 3.41Å; Y490-R493 HydrophobicContact CD1-CB 4Å; Y490-R493 HydrophobicContact CD1-CG 4.11Å; Y490-R493 HydrophobicContact CD2-CB 3.92Å; Y490-R493 HydrophobicContact CE1-CB 3.82Å; Y490-R493 HydrophobicContact CE1-CG 3.61Å; Y490-R493 HydrophobicContact CE2-CB 3.72Å; Y490-R493 HydrophobicContact CE2-CG 4.29Å; Y490-R493 HydrophobicContact CG-CB 4.04Å; Y490-R493 WeakPolarHBondContact O-CB 3.47Å; Y490-R493 PolarHBondContact O-N 2.99Å; Y490-V542 VanDerWaalsContact CA-O 3.28Å; Y490-V542 WeakPolarHBondContact CA-O 3.47Å; Y490-K544 HydrophobicContact CD2-CB 4.23Å; Y490-K544 HydrophobicContact CD2-CG 4.06Å; Y490-L548 HydrophobicContact CD1-CD2 3.89Å; Y490-L548 HydrophobicContact CG-CD2 4.27Å; Y490-F551 HydrophobicContact CD1-CB 3.98Å; Y490-F551 HydrophobicContact CE1-CB 3.8Å; Y490-F551 HydrophobicContact CE1-CD2 4.13Å; Y490-F551 HydrophobicContact CE1-CG 4.49Å; Y490-F551 HydrophobicContact CE2-CD2 4.13Å; Y490-F551 AromaticContact CZ-CD2 3.83Å
491	V	95.1	Very high	91	Very high	67 Å²	67	37.4 Å²	37.4	41%	0.406	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	119.5	176	173.7	0	0	0	0	111	L541 V542	V491-L541 HydrophobicContact CG2-CD1 4.02Å; V491-L541 HydrophobicContact CG2-CD2 4.14Å; V491-L541 HydrophobicContact CG2-CG 4.14Å; V491-V542 PolarHBondContact N-O 3.06Å
492	G	93.8	Very high	90.9	Very high	42 Å²	42	34.9 Å²	34.9	43%	0.433	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	23	-176.9	0	0	0	0	0	115.3	Y490 D532	Y490-G492 PolarHBondContact O-N 3.41Å; G492-D532 PolarHBondContact N-OD1 3.33Å; G492-D532 VanDerWaalsContact N-OD1 3.08Å; G492-D532 PolarHBondContact N-OD2 3.44Å
493	R	94.9	Very high	91.2	Very high	3 Å²	3	34 Å²	34	1%	0.011	20%	0.195	C	C	.	.			trans	-69.6	-42.4	172.8	-175.1	173.8	-161.6	-144.3	-3.6	112.4	D369 C478 Y490 V496 D554	D369-R493 IonicContact OD1-CZ 3.96Å; D369-R493 IonicContact OD1-NH1 3.34Å; D369-R493 PolarHBondContact OD1-NH1 3.5Å; D369-R493 IonicContact OD1-NH2 3.82Å; D369-R493 PolarHBondContact OD1-NH2 3.42Å; D369-R493 IonicContact OD2-CZ 2.86Å; D369-R493 IonicContact OD2-NH1 2.9Å; D369-R493 IonicContact OD2-NH2 3.14Å; D369-R493 PolarHBondContact OD2-NH2 3.29Å; C478-R493 VanDerWaalsContact SG-CZ 3.57Å; Y490-R493 HydrophobicContact CD1-CB 4Å; Y490-R493 HydrophobicContact CD1-CG 4.11Å; Y490-R493 HydrophobicContact CD2-CB 3.92Å; Y490-R493 HydrophobicContact CE1-CB 3.82Å; Y490-R493 HydrophobicContact CE1-CG 3.61Å; Y490-R493 HydrophobicContact CE2-CB 3.72Å; Y490-R493 HydrophobicContact CE2-CG 4.29Å; Y490-R493 HydrophobicContact CG-CB 4.04Å; Y490-R493 WeakPolarHBondContact O-CB 3.47Å; Y490-R493 PolarHBondContact O-N 2.99Å; R493-V496 VanDerWaalsContact O-CG2 3.28Å; R493-V496 WeakPolarHBondContact O-CG2 3.39Å; R493-D554 IonicContact CZ-OD2 3.23Å; R493-D554 VanDerWaalsContact CZ-OD2 3.23Å; R493-D554 IonicContact NE-OD2 3.31Å; R493-D554 PolarHBondContact NE-OD2 3.49Å; R493-D554 IonicContact NH2-OD1 2.68Å; R493-D554 IonicContact NH2-OD2 3.28Å; R493-D554 PolarHBondContact NH2-OD2 3.46Å
494	N	95.2	Very high	91.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	21%	0.208	C	C	.	.	S	Bend	trans	-114.7	149.4	-174	-71.1	-36.4	0	0	0	110.8	C478 S528 F531	C478-N494 WeakPolarHBondContact CB-OD1 3.34Å; C478-N494 PolarHBondContact N-OD1 2.65Å; C478-N494 PolarHBondContact O-ND2 3.11Å; C478-N494 VanDerWaalsContact O-ND2 3.13Å; N494-S528 WeakPolarHBondContact O-CA 3.35Å; N494-S528 WeakPolarHBondContact O-CB 3.46Å; N494-F531 HydrophobicContact CB-CB 3.68Å; N494-F531 HydrophobicContact CB-CD1 3.69Å; N494-F531 HydrophobicContact CB-CD2 4.33Å; N494-F531 HydrophobicContact CB-CE1 4.37Å; N494-F531 HydrophobicContact CB-CG 3.66Å
495	P	95.8	Very high	91.7	Very high	14 Å²	14	39.7 Å²	39.7	9%	0.091	21%	0.213	C	C	.	.	S	Bend	cis	-78.8	151.1	-15	34	-34.3	0	0	0	111.8	G476 L524 Q527 F531	G476-P495 CarbonylContact O-C 3.43Å; G476-P495 WeakPolarHBondContact O-CA 3.41Å; P495-L524 HydrophobicContact CG-CD2 3.88Å; P495-Q527 HydrophobicContact CG-CB 4.29Å; P495-F531 HydrophobicContact CB-CE2 4.24Å; P495-F531 HydrophobicContact CB-CZ 4.49Å; P495-F531 HydrophobicContact CG-CE2 4.2Å
496	V	95.5	Very high	92	Very high	19 Å²	19	33.4 Å²	33.4	12%	0.115	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.9	176.2	-175	0	0	0	0	109.7	V475 G476 R493 L498	V475-V496 CarbonylContact C-O 3.53Å; V475-V496 WeakPolarHBondContact CA-O 3.49Å; G476-V496 PolarHBondContact N-O 3.44Å; G476-V496 PolarHBondContact O-N 3.45Å; R493-V496 VanDerWaalsContact O-CG2 3.28Å; R493-V496 WeakPolarHBondContact O-CG2 3.39Å; V496-L498 HydrophobicContact CB-CG 4.48Å; V496-L498 HydrophobicContact CG1-CD2 3.75Å; V496-L498 HydrophobicContact CG1-CG 4.11Å; V496-L498 PolarHBondContact O-N 3.4Å
497	D	95.1	Very high	92.1	Very high	40 Å²	40	28.1 Å²	28.1	21%	0.214	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	111.2	169	-170.2	-2.1	0	0	0	110.3	S499 R514 W520 L524	D497-S499 WeakPolarHBondContact OD1-CB 3.38Å; D497-S499 PolarHBondContact OD1-N 3.4Å; D497-S499 PolarHBondContact OD1-OG 3.38Å; D497-R514 IonicContact OD2-NH2 3.46Å; D497-R514 PolarHBondContact OD2-NH2 3.38Å; D497-W520 PolarHBondContact OD2-NE1 3.2Å; D497-L524 HydrophobicContact CB-CD1 4.05Å
498	L	94.6	Very high	91.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.			trans	-105.7	5.2	177.3	-61.6	174.4	0	0	0	112	I373 V474 V496 P500 R501 Y502 I561	I373-L498 HydrophobicContact CD1-CD1 3.54Å; I373-L498 HydrophobicContact CG1-CD1 3.87Å; I373-L498 HydrophobicContact CG2-CD1 4.39Å; V474-L498 HydrophobicContact CG1-CB 4.21Å; V474-L498 CarbonylContact O-C 3.59Å; V474-L498 PolarHBondContact O-N 2.75Å; V496-L498 HydrophobicContact CB-CG 4.48Å; V496-L498 HydrophobicContact CG1-CD2 3.75Å; V496-L498 HydrophobicContact CG1-CG 4.11Å; V496-L498 PolarHBondContact O-N 3.4Å; L498-P500 VanDerWaalsContact C-N 3.29Å; L498-R501 WeakPolarHBondContact O-CB 3.43Å; L498-R501 PolarHBondContact O-N 3.4Å; L498-Y502 HydrophobicContact CB-CD2 4.01Å; L498-Y502 HydrophobicContact CB-CE2 4.14Å; L498-Y502 HydrophobicContact CD1-CE2 4.48Å; L498-Y502 WeakPolarHBondContact O-CD2 3.32Å; L498-Y502 PolarHBondContact O-N 3.47Å; L498-I561 HydrophobicContact CD2-CD1 4.43Å
499	S	93.6	Very high	91.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-50.1	-41.7	175.7	-45.6	0	0	0	0	113.5	V474 D497 R501 Y502 V503 R514	V474-S499 PolarHBondContact N-OG 3.24Å; V474-S499 PolarHBondContact O-N 2.92Å; V474-S499 VanDerWaalsContact O-N 3.17Å; V474-S499 PolarHBondContact O-OG 3.49Å; D497-S499 WeakPolarHBondContact OD1-CB 3.38Å; D497-S499 PolarHBondContact OD1-N 3.4Å; D497-S499 PolarHBondContact OD1-OG 3.38Å; S499-R501 PolarHBondContact O-N 3.47Å; S499-R501 VanDerWaalsContact O-N 3.13Å; S499-Y502 PolarHBondContact O-N 2.98Å; S499-V503 WeakPolarHBondContact O-CB 3.46Å; S499-V503 WeakPolarHBondContact O-CG2 3.3Å; S499-V503 PolarHBondContact O-N 3.32Å; S499-R514 PolarHBondContact OG-NH1 2.95Å
500	P	92.4	Very high	91.2	Very high	22 Å²	22	31.7 Å²	31.7	14%	0.143	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-14	178.1	-16.1	28.8	0	0	0	114.8	L498 W506 I561 L565	L498-P500 VanDerWaalsContact C-N 3.29Å; P500-W506 HydrophobicContact CB-CD2 4.31Å; P500-W506 HydrophobicContact CB-CG 4.24Å; P500-W506 HydrophobicContact CB-CZ2 4.44Å; P500-W506 HydrophobicContact CG-CD2 4.44Å; P500-W506 HydrophobicContact CG-CZ2 3.78Å; P500-I561 HydrophobicContact CB-CG2 3.73Å; P500-L565 HydrophobicContact CB-CD1 3.86Å
501	R	91.4	Very high	90.8	Very high	43 Å²	43	35.5 Å²	35.5	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-87.7	-38.4	176	-178.1	-179.2	-63.6	-107.1	-2.1	112.4	E441 L498 S499 D557 I561 K564	E441-R501 WeakPolarHBondContact OE1-CD 3.49Å; E441-R501 IonicContact OE1-CZ 2.72Å; E441-R501 IonicContact OE1-NE 3.9Å; E441-R501 PolarHBondContact OE1-NE 3.13Å; L498-R501 WeakPolarHBondContact O-CB 3.43Å; L498-R501 PolarHBondContact O-N 3.4Å; S499-R501 PolarHBondContact O-N 3.47Å; S499-R501 VanDerWaalsContact O-N 3.13Å; R501-D557 IonicContact CZ-OD1 3.48Å; R501-D557 IonicContact CZ-OD2 2.94Å; R501-D557 IonicContact NH1-OD1 3.39Å; R501-D557 IonicContact NH2-OD1 2.72Å; R501-D557 PolarHBondContact NH2-OD1 2.87Å; R501-D557 IonicContact NH2-OD2 2.64Å; R501-D557 PolarHBondContact NH2-OD2 3.19Å; R501-I561 HydrophobicContact CB-CD1 4.34Å; R501-I561 HydrophobicContact CB-CG1 4.3Å; R501-I561 VanDerWaalsContact NH2-CG1 3.32Å; R501-K564 PolarHBondContact O-NZ 3.43Å
502	Y	90.8	Very high	90.3	Very high	15 Å²	15	37.3 Å²	37.3	6%	0.059	21%	0.206	C	C	.	.	H	α-helix	trans	-111.5	-30.5	-163.9	-71	-70.5	0	0	0	115.1	I373 F439 E441 V465 V474 L498 S499 Q504	I373-Y502 HydrophobicContact CD1-CE2 4.15Å; F439-Y502 HydrophobicContact CE2-CD1 4.06Å; F439-Y502 HydrophobicContact CE2-CD2 4.16Å; F439-Y502 AromaticContact CE2-CE1 3.7Å; F439-Y502 HydrophobicContact CE2-CE1 3.7Å; F439-Y502 AromaticContact CE2-CE2 3.78Å; F439-Y502 HydrophobicContact CE2-CE2 3.78Å; F439-Y502 HydrophobicContact CE2-CG 4.31Å; F439-Y502 AromaticContact CE2-CZ 3.59Å; F439-Y502 HydrophobicContact CZ-CD1 4.05Å; F439-Y502 AromaticContact CZ-CD2 3.97Å; F439-Y502 HydrophobicContact CZ-CD2 3.97Å; F439-Y502 HydrophobicContact CZ-CE1 4.17Å; F439-Y502 HydrophobicContact CZ-CE2 4.06Å; F439-Y502 AromaticContact CZ-CG 3.99Å; F439-Y502 HydrophobicContact CZ-CG 3.99Å; E441-Y502 WeakPolarHBondContact CG-OH 3.15Å; E441-Y502 VanDerWaalsContact OE1-CE2 3.32Å; E441-Y502 WeakPolarHBondContact OE1-CE2 3.41Å; E441-Y502 PolarHBondContact OE1-OH 3.48Å; V465-Y502 HydrophobicContact CB-CE1 4.44Å; V465-Y502 HydrophobicContact CG1-CD1 3.56Å; V465-Y502 HydrophobicContact CG1-CE1 3.71Å; V465-Y502 HydrophobicContact CG2-CD1 4.47Å; V465-Y502 HydrophobicContact CG2-CE1 3.84Å; V474-Y502 HydrophobicContact CG1-CD2 3.81Å; V474-Y502 HydrophobicContact CG1-CG 4.31Å; L498-Y502 HydrophobicContact CB-CD2 4.01Å; L498-Y502 HydrophobicContact CB-CE2 4.14Å; L498-Y502 HydrophobicContact CD1-CE2 4.48Å; L498-Y502 WeakPolarHBondContact O-CD2 3.32Å; L498-Y502 PolarHBondContact O-N 3.47Å; S499-Y502 PolarHBondContact O-N 2.98Å; Y502-Q504 PolarHBondContact O-N 3.34Å
503	V	89.5	Confident	90	Very high	17 Å²	17	40.3 Å²	40.3	10%	0.103	21%	0.208	C	C	.	.	S	Bend	trans	-79.3	121.1	-175.9	-176	0	0	0	0	109.4	S471 V474 S499 W506 A510	S471-V503 WeakPolarHBondContact O-CG2 3.43Å; V474-V503 HydrophobicContact CG2-CG2 3.83Å; S499-V503 WeakPolarHBondContact O-CB 3.46Å; S499-V503 WeakPolarHBondContact O-CG2 3.3Å; S499-V503 PolarHBondContact O-N 3.32Å; V503-W506 HydrophobicContact CB-CE3 4.24Å; V503-W506 WeakPolarHBondContact O-CB 3.49Å; V503-W506 PolarHBondContact O-N 2.91Å; V503-A510 HydrophobicContact CG1-CB 3.52Å
504	Q	84.5	Confident	89.8	Confident	153 Å²	153	41 Å²	41	72%	0.715	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	145.6	176.4	-177.1	-178.6	-32.9	0	0	110.9	Y502 W506	Y502-Q504 PolarHBondContact O-N 3.34Å; Q504-W506 PolarHBondContact O-N 3.49Å; Q504-W506 VanDerWaalsContact O-N 3.13Å
505	D	85.2	Confident	89.7	Confident	87 Å²	87	41.2 Å²	41.2	47%	0.465	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	32.9	178.8	-56.9	-34.4	0	0	0	112.6	C507 V508 S509 A510	D505-C507 VanDerWaalsContact C-N 3.26Å; D505-C507 PolarHBondContact O-N 3.02Å; D505-C507 VanDerWaalsContact O-N 3.15Å; D505-V508 CarbonylContact O-C 3.58Å; D505-V508 PolarHBondContact O-N 2.91Å; D505-S509 VanDerWaalsContact CB-OG 3.29Å; D505-S509 WeakPolarHBondContact CB-OG 3.45Å; D505-S509 PolarHBondContact O-N 2.9Å; D505-S509 VanDerWaalsContact O-N 3.11Å; D505-A510 PolarHBondContact O-N 2.88Å
506	W	89.2	Confident	89.5	Confident	23 Å²	23	44.9 Å²	44.9	9%	0.087	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-45.8	-175.9	170.1	-114.8	0	0	0	113.4	P500 V503 Q504 V508 A510 R511	P500-W506 HydrophobicContact CB-CD2 4.31Å; P500-W506 HydrophobicContact CB-CG 4.24Å; P500-W506 HydrophobicContact CB-CZ2 4.44Å; P500-W506 HydrophobicContact CG-CD2 4.44Å; P500-W506 HydrophobicContact CG-CZ2 3.78Å; V503-W506 HydrophobicContact CB-CE3 4.24Å; V503-W506 WeakPolarHBondContact O-CB 3.49Å; V503-W506 PolarHBondContact O-N 2.91Å; Q504-W506 PolarHBondContact O-N 3.49Å; Q504-W506 VanDerWaalsContact O-N 3.13Å; W506-V508 PolarHBondContact O-N 3.48Å; W506-A510 HydrophobicContact CE3-CB 4.21Å; W506-R511 HydrophobicContact CH2-CG 4.5Å; W506-R511 HydrophobicContact CZ3-CG 4.44Å; W506-R511 WeakPolarHBondContact O-CD 3.35Å; W506-R511 WeakPolarHBondContact O-CG 3.43Å
507	C	87.8	Confident	89.2	Confident	7 Å²	7	46.7 Å²	46.7	5%	0.047	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.6	-176.8	-62.9	0	0	0	0	113.9	D505 H580 P581	D505-C507 VanDerWaalsContact C-N 3.26Å; D505-C507 PolarHBondContact O-N 3.02Å; D505-C507 VanDerWaalsContact O-N 3.15Å; C507-H580 VanDerWaalsContact CB-NE2 3.29Å; C507-H580 WeakPolarHBondContact CB-NE2 3.29Å; C507-H580 PolarHBondContact O-CD2 3.41Å; C507-P581 HydrophobicContact CB-CG 3.74Å; C507-P581 WeakPolarHBondContact O-CD 3.36Å
508	V	85.8	Confident	88.9	Confident	48 Å²	48	51.1 Å²	51.1	29%	0.291	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-87.8	-171.9	-178.2	0	0	0	0	111.2	D505 W506 P571 D576	D505-V508 CarbonylContact O-C 3.58Å; D505-V508 PolarHBondContact O-N 2.91Å; W506-V508 PolarHBondContact O-N 3.48Å; V508-P571 HydrophobicContact CG2-CG 4.36Å; V508-D576 HydrophobicContact CG1-CB 3.72Å; V508-D576 HydrophobicContact CG2-CB 4.12Å
509	S	83.9	Confident	88.8	Confident	50 Å²	50	55 Å²	55	35%	0.35	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-29.9	-166.2	57	0	0	0	0	113.5	D505 R511 T512 H513	D505-S509 VanDerWaalsContact CB-OG 3.29Å; D505-S509 WeakPolarHBondContact CB-OG 3.45Å; D505-S509 PolarHBondContact O-N 2.9Å; D505-S509 VanDerWaalsContact O-N 3.11Å; S509-R511 VanDerWaalsContact C-N 3.27Å; S509-R511 PolarHBondContact O-N 3.41Å; S509-T512 PolarHBondContact O-N 3.28Å; S509-T512 PolarHBondContact O-OG1 3.18Å; S509-H513 PolarHBondContact O-ND1 3.35Å
510	A	86.7	Confident	88.9	Confident	6 Å²	6	55.4 Å²	55.4	5%	0.05	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-62.6	-34.6	-178	0	0	0	0	0	113	V503 D505 W506 T512 H513	V503-A510 HydrophobicContact CG1-CB 3.52Å; D505-A510 PolarHBondContact O-N 2.88Å; W506-A510 HydrophobicContact CE3-CB 4.21Å; A510-T512 PolarHBondContact O-N 3.08Å; A510-H513 PolarHBondContact O-N 2.95Å
511	R	86.4	Confident	89	Confident	88 Å²	88	57.7 Å²	57.7	33%	0.332	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-73.2	-26	-173.8	-74.5	164.3	69.1	89	0.7	114	W506 S509 H513 R514	W506-R511 HydrophobicContact CH2-CG 4.5Å; W506-R511 HydrophobicContact CZ3-CG 4.44Å; W506-R511 WeakPolarHBondContact O-CD 3.35Å; W506-R511 WeakPolarHBondContact O-CG 3.43Å; S509-R511 VanDerWaalsContact C-N 3.27Å; S509-R511 PolarHBondContact O-N 3.41Å; R511-H513 VanDerWaalsContact C-N 3.25Å; R511-H513 PolarHBondContact O-N 2.87Å; R511-R514 PolarHBondContact O-N 2.83Å
512	T	85.2	Confident	89.1	Confident	105 Å²	105	58.4 Å²	58.4	64%	0.644	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-75.2	-17.2	176.6	57.6	0	0	0	0	112.9	S509 A510	S509-T512 PolarHBondContact O-N 3.28Å; S509-T512 PolarHBondContact O-OG1 3.18Å; A510-T512 PolarHBondContact O-N 3.08Å
513	H	87	Confident	89.4	Confident	105 Å²	105	58.6 Å²	58.6	49%	0.486	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-97.3	9.3	178.6	-58.8	89.1	0	0	0	112.9	L472 S509 A510 R511	L472-H513 HydrophobicContact CD1-CB 4.35Å; L472-H513 HydrophobicContact CD2-CB 3.82Å; S509-H513 PolarHBondContact O-ND1 3.35Å; A510-H513 PolarHBondContact O-N 2.95Å; R511-H513 VanDerWaalsContact C-N 3.25Å; R511-H513 PolarHBondContact O-N 2.87Å
514	R	91.2	Very high	89.7	Confident	17 Å²	17	59.1 Å²	59.1	6%	0.064	32%	0.322	C	S	.	.	S	Bend	trans	-119.3	156	-178.1	-72.7	175.3	64	130.3	-13.6	112.9	L381 L472 Y473 D497 S499 R511 W520	L381-R514 VanDerWaalsContact CD1-C 3.48Å; L381-R514 WeakPolarHBondContact CD1-O 3.47Å; L472-R514 WeakPolarHBondContact O-CD 3.48Å; L472-R514 PolarHBondContact O-NH1 3.19Å; Y473-R514 HydrophobicContact CD1-CG 4.48Å; Y473-R514 HydrophobicContact CE1-CB 4.19Å; Y473-R514 HydrophobicContact CE1-CG 3.95Å; Y473-R514 HydrophobicContact CE2-CG 4.15Å; Y473-R514 WeakPolarHBondContact OH-CA 3.49Å; D497-R514 IonicContact OD2-NH2 3.46Å; D497-R514 PolarHBondContact OD2-NH2 3.38Å; S499-R514 PolarHBondContact OG-NH1 2.95Å; R511-R514 PolarHBondContact O-N 2.83Å; R514-W520 VanDerWaalsContact NH2-CE2 3.34Å
515	I	92.1	Very high	90.2	Very high	6 Å²	6	55.6 Å²	55.6	3%	0.031	31%	0.308	C	S	.	.			trans	-52.4	139.7	166.8	-66	166.6	0	0	0	109.3	V260 Y473 A517 K519 F523	V260-I515 HydrophobicContact CB-CD1 4.13Å; V260-I515 HydrophobicContact CG1-CD1 4.17Å; V260-I515 HydrophobicContact CG2-CD1 4.06Å; Y473-I515 WeakPolarHBondContact OH-CG1 3.26Å; Y473-I515 PolarHBondContact OH-N 3.47Å; I515-A517 PolarHBondContact O-N 2.95Å; I515-K519 HydrophobicContact CG2-CB 3.68Å; I515-K519 HydrophobicContact CG2-CD 3.77Å; I515-K519 HydrophobicContact CG2-CG 3.68Å; I515-F523 HydrophobicContact CD1-CD2 4.21Å; I515-F523 HydrophobicContact CD1-CE2 3.77Å
516	P	90.8	Very high	90.6	Very high	92 Å²	92	54.8 Å²	54.8	60%	0.597	30%	0.303	S	S	*	.			trans	-48.5	139.2	174.8	-30.8	36.3	0	0	0	113.4	E518 K519 W520	P516-E518 PolarHBondContact O-N 3.12Å; P516-E518 VanDerWaalsContact O-N 3.08Å; P516-K519 PolarHBondContact O-N 2.85Å; P516-W520 PolarHBondContact O-N 3.48Å
517	A	89.1	Confident	90.9	Very high	56 Å²	56	54.4 Å²	54.4	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-57.9	-30.7	-168.5	0	0	0	0	0	114.2	I515 S521	I515-A517 PolarHBondContact O-N 2.95Å; A517-S521 WeakPolarHBondContact O-CB 3.32Å; A517-S521 PolarHBondContact O-N 3.38Å; A517-S521 PolarHBondContact O-OG 3.43Å
518	E	90.2	Very high	91.3	Very high	134 Å²	134	54.7 Å²	54.7	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-66.7	-48.5	175.9	-65.3	169.7	-154.5	0	0	111.3	P516 S521 S522	P516-E518 PolarHBondContact O-N 3.12Å; P516-E518 VanDerWaalsContact O-N 3.08Å; E518-S521 WeakPolarHBondContact O-CB 3.46Å; E518-S521 PolarHBondContact O-N 2.84Å; E518-S522 PolarHBondContact O-N 3.26Å
519	K	92.9	Very high	91.7	Very high	80 Å²	80	60 Å²	60	35%	0.348	32%	0.319	S	S	.	.	H	α-helix	trans	-68.2	-35.9	176.9	-177.5	176.6	176.6	-168.4	0	112	S257 I515 P516 S522 F523	S257-K519 PolarHBondContact OG-NZ 2.94Å; I515-K519 HydrophobicContact CG2-CB 3.68Å; I515-K519 HydrophobicContact CG2-CD 3.77Å; I515-K519 HydrophobicContact CG2-CG 3.68Å; P516-K519 PolarHBondContact O-N 2.85Å; K519-S522 PolarHBondContact O-N 3.19Å; K519-F523 HydrophobicContact CG-CD1 4.37Å; K519-F523 HydrophobicContact CG-CE1 3.96Å; K519-F523 HydrophobicContact CG-CZ 4.25Å; K519-F523 VanDerWaalsContact O-CD1 3.32Å; K519-F523 WeakPolarHBondContact O-CD1 3.49Å; K519-F523 WeakPolarHBondContact O-CG 3.35Å; K519-F523 PolarHBondContact O-N 3.31Å
520	W	94.5	Very high	92.3	Very high	10 Å²	10	62 Å²	62	4%	0.038	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-44.4	171	173	-113.7	0	0	0	112.1	V260 L264 Y473 V475 D497 R514 P516 S522 F523 L524	V260-W520 HydrophobicContact CG1-CE3 4.15Å; V260-W520 HydrophobicContact CG1-CZ3 3.62Å; L264-W520 HydrophobicContact CD1-CH2 4.48Å; L264-W520 HydrophobicContact CD1-CZ3 3.97Å; L264-W520 HydrophobicContact CD2-CH2 4.2Å; L264-W520 HydrophobicContact CD2-CZ3 4.49Å; Y473-W520 AromaticContact CD1-CD2 3.97Å; Y473-W520 HydrophobicContact CD1-CD2 3.97Å; Y473-W520 AromaticContact CD1-CE2 3.99Å; Y473-W520 AromaticContact CD1-CE3 3.71Å; Y473-W520 HydrophobicContact CD1-CE3 3.71Å; Y473-W520 AromaticContact CD1-CH2 3.53Å; Y473-W520 HydrophobicContact CD1-CH2 3.53Å; Y473-W520 AromaticContact CD1-CZ2 3.79Å; Y473-W520 HydrophobicContact CD1-CZ2 3.79Å; Y473-W520 AromaticContact CD1-CZ3 3.49Å; Y473-W520 HydrophobicContact CD1-CZ3 3.49Å; Y473-W520 VanDerWaalsContact CD1-CZ3 3.49Å; Y473-W520 AromaticContact CE1-CD2 3.96Å; Y473-W520 HydrophobicContact CE1-CD2 3.96Å; Y473-W520 AromaticContact CE1-CE3 3.62Å; Y473-W520 HydrophobicContact CE1-CE3 3.62Å; Y473-W520 HydrophobicContact CE1-CH2 4.3Å; Y473-W520 AromaticContact CE1-CZ3 3.81Å; Y473-W520 HydrophobicContact CE1-CZ3 3.81Å; Y473-W520 HydrophobicContact CG-CH2 4.19Å; Y473-W520 HydrophobicContact CG-CZ3 4.33Å; V475-W520 HydrophobicContact CG1-CH2 3.8Å; V475-W520 HydrophobicContact CG1-CZ2 3.91Å; D497-W520 PolarHBondContact OD2-NE1 3.2Å; R514-W520 VanDerWaalsContact NH2-CE2 3.34Å; P516-W520 PolarHBondContact O-N 3.48Å; W520-S522 VanDerWaalsContact C-N 3.3Å; W520-S522 PolarHBondContact O-N 2.86Å; W520-F523 WeakPolarHBondContact O-CB 3.48Å; W520-F523 PolarHBondContact O-N 2.85Å; W520-F523 VanDerWaalsContact O-N 3.11Å; W520-L524 HydrophobicContact CD2-CD1 4.48Å; W520-L524 HydrophobicContact CD2-CG 4.4Å; W520-L524 HydrophobicContact CH2-CD2 3.9Å; W520-L524 HydrophobicContact CZ2-CD1 4.11Å; W520-L524 HydrophobicContact CZ2-CD2 3.71Å; W520-L524 HydrophobicContact CZ2-CG 4.16Å; W520-L524 HydrophobicContact CZ3-CD2 4.45Å; W520-L524 WeakPolarHBondContact O-CG 3.4Å; W520-L524 PolarHBondContact O-N 3.18Å
521	S	94.1	Very high	92.8	Very high	70 Å²	70	61.7 Å²	61.7	49%	0.49	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-40.9	174.3	-57.1	0	0	0	0	111.9	A517 E518 L524 D525	A517-S521 WeakPolarHBondContact O-CB 3.32Å; A517-S521 PolarHBondContact O-N 3.38Å; A517-S521 PolarHBondContact O-OG 3.43Å; E518-S521 WeakPolarHBondContact O-CB 3.46Å; E518-S521 PolarHBondContact O-N 2.84Å; S521-L524 PolarHBondContact O-N 3.1Å; S521-D525 PolarHBondContact O-N 2.69Å
522	S	95.2	Very high	93.2	Very high	57 Å²	57	58.3 Å²	58.3	40%	0.399	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-38.5	173.4	176.9	0	0	0	0	112.8	E518 K519 W520 L524 D525 I526	E518-S522 PolarHBondContact O-N 3.26Å; K519-S522 PolarHBondContact O-N 3.19Å; W520-S522 VanDerWaalsContact C-N 3.3Å; W520-S522 PolarHBondContact O-N 2.86Å; S522-L524 VanDerWaalsContact C-N 3.35Å; S522-D525 PolarHBondContact O-N 2.85Å; S522-I526 WeakPolarHBondContact O-CD1 3.36Å; S522-I526 VanDerWaalsContact O-CG1 3.26Å; S522-I526 WeakPolarHBondContact O-CG1 3.36Å; S522-I526 PolarHBondContact O-N 3.4Å
523	F	95.8	Very high	93.7	Very high	19 Å²	19	58.3 Å²	58.3	8%	0.083	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-37.7	175.2	-75.3	9.8	0	0	0	112	V260 L261 L264 I515 K519 W520 Q527	V260-F523 HydrophobicContact CG1-CD2 4.12Å; L261-F523 HydrophobicContact CD1-CE1 4.25Å; L261-F523 HydrophobicContact CD1-CE2 3.99Å; L261-F523 HydrophobicContact CD1-CZ 3.79Å; L261-F523 HydrophobicContact CD2-CB 4.25Å; L261-F523 HydrophobicContact CD2-CD1 4.1Å; L261-F523 HydrophobicContact CD2-CD2 3.69Å; L261-F523 HydrophobicContact CD2-CE1 4.31Å; L261-F523 HydrophobicContact CD2-CE2 3.92Å; L261-F523 HydrophobicContact CD2-CG 3.77Å; L261-F523 HydrophobicContact CD2-CZ 4.22Å; L261-F523 HydrophobicContact CG-CD2 3.91Å; L261-F523 HydrophobicContact CG-CE2 3.65Å; L261-F523 HydrophobicContact CG-CG 4.43Å; L261-F523 HydrophobicContact CG-CZ 3.98Å; L264-F523 HydrophobicContact CD1-CB 4.2Å; I515-F523 HydrophobicContact CD1-CD2 4.21Å; I515-F523 HydrophobicContact CD1-CE2 3.77Å; K519-F523 HydrophobicContact CG-CD1 4.37Å; K519-F523 HydrophobicContact CG-CE1 3.96Å; K519-F523 HydrophobicContact CG-CZ 4.25Å; K519-F523 VanDerWaalsContact O-CD1 3.32Å; K519-F523 WeakPolarHBondContact O-CD1 3.49Å; K519-F523 WeakPolarHBondContact O-CG 3.35Å; K519-F523 PolarHBondContact O-N 3.31Å; W520-F523 WeakPolarHBondContact O-CB 3.48Å; W520-F523 PolarHBondContact O-N 2.85Å; W520-F523 VanDerWaalsContact O-N 3.11Å; F523-Q527 WeakPolarHBondContact O-CB 3.34Å; F523-Q527 VanDerWaalsContact O-CG 3.28Å; F523-Q527 WeakPolarHBondContact O-CG 3.49Å; F523-Q527 PolarHBondContact O-N 3.06Å; F523-Q527 VanDerWaalsContact O-N 3.09Å
524	L	95.9	Very high	94	Very high	28 Å²	28	53.4 Å²	53.4	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-68.9	-39.5	174.8	-61.2	174.3	0	0	0	112.3	L264 V475 P495 D497 W520 S521 S522 Q527 S528	L264-L524 HydrophobicContact CD2-CD2 4.26Å; V475-L524 HydrophobicContact CG1-CD2 4.44Å; P495-L524 HydrophobicContact CG-CD2 3.88Å; D497-L524 HydrophobicContact CB-CD1 4.05Å; W520-L524 HydrophobicContact CD2-CD1 4.48Å; W520-L524 HydrophobicContact CD2-CG 4.4Å; W520-L524 HydrophobicContact CH2-CD2 3.9Å; W520-L524 HydrophobicContact CZ2-CD1 4.11Å; W520-L524 HydrophobicContact CZ2-CD2 3.71Å; W520-L524 HydrophobicContact CZ2-CG 4.16Å; W520-L524 HydrophobicContact CZ3-CD2 4.45Å; W520-L524 WeakPolarHBondContact O-CG 3.4Å; W520-L524 PolarHBondContact O-N 3.18Å; S521-L524 PolarHBondContact O-N 3.1Å; S522-L524 VanDerWaalsContact C-N 3.35Å; L524-Q527 PolarHBondContact O-N 2.72Å; L524-S528 WeakPolarHBondContact O-CB 3.34Å; L524-S528 PolarHBondContact O-N 3.45Å; L524-S528 PolarHBondContact O-OG 2.86Å
525	D	94.5	Very high	94.2	Very high	79 Å²	79	52.6 Å²	52.6	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-69.3	-31.1	175.8	179.7	81.7	0	0	0	113.5	S521 S522 S528 R529	S521-D525 PolarHBondContact O-N 2.69Å; S522-D525 PolarHBondContact O-N 2.85Å; D525-S528 PolarHBondContact O-OG 3.14Å; D525-R529 WeakPolarHBondContact O-CD 3.41Å; D525-R529 WeakPolarHBondContact O-CG 3.32Å; D525-R529 PolarHBondContact O-NE 3.4Å; D525-R529 VanDerWaalsContact O-NE 3.1Å; D525-R529 IonicContact OD2-CZ 2.74Å; D525-R529 IonicContact OD2-NE 2.74Å; D525-R529 PolarHBondContact OD2-NE 2.96Å; D525-R529 IonicContact OD2-NH2 3.72Å; D525-R529 PolarHBondContact OD2-NH2 3.33Å
526	I	94.9	Very high	94.3	Very high	70 Å²	70	53.3 Å²	53.3	36%	0.359	28%	0.279	S	S	.	.	H	α-helix	trans	-67.5	-42.6	170.2	-71.3	163.9	0	0	0	110.1	S522 F530	S522-I526 WeakPolarHBondContact O-CD1 3.36Å; S522-I526 VanDerWaalsContact O-CG1 3.26Å; S522-I526 WeakPolarHBondContact O-CG1 3.36Å; S522-I526 PolarHBondContact O-N 3.4Å; I526-F530 HydrophobicContact CG2-CE2 4.21Å; I526-F530 WeakPolarHBondContact O-CD2 3.37Å; I526-F530 WeakPolarHBondContact O-CE2 3.34Å
527	Q	94.7	Very high	94.4	Very high	16 Å²	16	54.8 Å²	54.8	8%	0.075	28%	0.278	C	S	.	.	H	α-helix	trans	-71.5	-38.6	-179.2	-74.1	-73.2	-5.8	0	0	113.2	L264 P495 F523 L524 R529 F530 F531	L264-Q527 HydrophobicContact CB-CG 3.85Å; L264-Q527 HydrophobicContact CD1-CG 4.14Å; L264-Q527 HydrophobicContact CG-CG 4.46Å; P495-Q527 HydrophobicContact CG-CB 4.29Å; F523-Q527 WeakPolarHBondContact O-CB 3.34Å; F523-Q527 VanDerWaalsContact O-CG 3.28Å; F523-Q527 WeakPolarHBondContact O-CG 3.49Å; F523-Q527 PolarHBondContact O-N 3.06Å; F523-Q527 VanDerWaalsContact O-N 3.09Å; L524-Q527 PolarHBondContact O-N 2.72Å; Q527-R529 PolarHBondContact O-N 3.27Å; Q527-F530 WeakPolarHBondContact O-CB 3.45Å; Q527-F530 PolarHBondContact O-N 3.13Å; Q527-F531 WeakPolarHBondContact O-CD2 3.34Å; Q527-F531 PolarHBondContact O-N 3.4Å
528	S	95.8	Very high	94.4	Very high	13 Å²	13	56.1 Å²	56.1	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-57.4	-38.3	-178.6	62.8	0	0	0	0	112.4	N494 L524 D525 F530 F531 D532	N494-S528 WeakPolarHBondContact O-CA 3.35Å; N494-S528 WeakPolarHBondContact O-CB 3.46Å; L524-S528 WeakPolarHBondContact O-CB 3.34Å; L524-S528 PolarHBondContact O-N 3.45Å; L524-S528 PolarHBondContact O-OG 2.86Å; D525-S528 PolarHBondContact O-OG 3.14Å; S528-F530 PolarHBondContact O-N 3.43Å; S528-F530 VanDerWaalsContact O-N 3.16Å; S528-F531 CarbonylContact O-C 3.53Å; S528-F531 PolarHBondContact O-N 2.89Å; S528-D532 WeakPolarHBondContact O-CB 3.33Å; S528-D532 PolarHBondContact O-N 3.49Å
529	R	95.9	Very high	94.3	Very high	159 Å²	159	56.5 Å²	56.5	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-56.4	-31	174.2	-60	162.9	-166.6	-140.8	3.2	113.3	D525 Q527 K533	D525-R529 WeakPolarHBondContact O-CD 3.41Å; D525-R529 WeakPolarHBondContact O-CG 3.32Å; D525-R529 PolarHBondContact O-NE 3.4Å; D525-R529 VanDerWaalsContact O-NE 3.1Å; D525-R529 IonicContact OD2-CZ 2.74Å; D525-R529 IonicContact OD2-NE 2.74Å; D525-R529 PolarHBondContact OD2-NE 2.96Å; D525-R529 IonicContact OD2-NH2 3.72Å; D525-R529 PolarHBondContact OD2-NH2 3.33Å; Q527-R529 PolarHBondContact O-N 3.27Å; R529-K533 WeakPolarHBondContact O-CB 3.42Å; R529-K533 PolarHBondContact O-N 2.95Å; R529-K533 VanDerWaalsContact O-N 3.13Å
530	F	95.9	Very high	94.2	Very high	92 Å²	92	52.9 Å²	52.9	40%	0.404	26%	0.264	S	S	.	.	H	α-helix	trans	-80.5	-36.3	175.4	-65.3	-83	0	0	0	112.7	I526 Q527 S528 K533 D534	I526-F530 HydrophobicContact CG2-CE2 4.21Å; I526-F530 WeakPolarHBondContact O-CD2 3.37Å; I526-F530 WeakPolarHBondContact O-CE2 3.34Å; Q527-F530 WeakPolarHBondContact O-CB 3.45Å; Q527-F530 PolarHBondContact O-N 3.13Å; S528-F530 PolarHBondContact O-N 3.43Å; S528-F530 VanDerWaalsContact O-N 3.16Å; F530-K533 PolarHBondContact O-N 2.99Å; F530-D534 VanDerWaalsContact O-CG 3.3Å; F530-D534 PolarHBondContact O-N 2.92Å
531	F	96.2	Very high	94.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.4	-37.6	172.6	-76.7	-91.1	0	0	0	112.3	R268 N271 A477 V480 N494 P495 Q527 S528 K533 D534 A535	R268-F531 HydrophobicContact CB-CE1 4.14Å; R268-F531 HydrophobicContact CB-CE2 3.89Å; R268-F531 HydrophobicContact CB-CZ 3.6Å; R268-F531 HydrophobicContact CG-CE1 4.2Å; R268-F531 HydrophobicContact CG-CE2 4.27Å; R268-F531 HydrophobicContact CG-CZ 4.08Å; N271-F531 HydrophobicContact CB-CE1 3.98Å; A477-F531 HydrophobicContact CB-CE1 3.78Å; A477-F531 HydrophobicContact CB-CZ 4.22Å; V480-F531 HydrophobicContact CG1-CB 4.43Å; V480-F531 HydrophobicContact CG1-CD1 4.05Å; N494-F531 HydrophobicContact CB-CB 3.68Å; N494-F531 HydrophobicContact CB-CD1 3.69Å; N494-F531 HydrophobicContact CB-CD2 4.33Å; N494-F531 HydrophobicContact CB-CE1 4.37Å; N494-F531 HydrophobicContact CB-CG 3.66Å; P495-F531 HydrophobicContact CB-CE2 4.24Å; P495-F531 HydrophobicContact CB-CZ 4.49Å; P495-F531 HydrophobicContact CG-CE2 4.2Å; Q527-F531 WeakPolarHBondContact O-CD2 3.34Å; Q527-F531 PolarHBondContact O-N 3.4Å; S528-F531 CarbonylContact O-C 3.53Å; S528-F531 PolarHBondContact O-N 2.89Å; F531-K533 VanDerWaalsContact C-N 3.34Å; F531-D534 WeakPolarHBondContact O-CB 3.24Å; F531-D534 PolarHBondContact O-N 3.35Å; F531-A535 PolarHBondContact O-N 2.9Å
532	D	95.6	Very high	94.1	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-40.6	173.8	-71.8	-16.8	0	0	0	110	G492 S528 D534 A535 A536 L541	G492-D532 PolarHBondContact N-OD1 3.33Å; G492-D532 VanDerWaalsContact N-OD1 3.08Å; G492-D532 PolarHBondContact N-OD2 3.44Å; S528-D532 WeakPolarHBondContact O-CB 3.33Å; S528-D532 PolarHBondContact O-N 3.49Å; D532-D534 PolarHBondContact O-N 3.44Å; D532-A535 PolarHBondContact O-N 3.22Å; D532-A536 WeakPolarHBondContact O-CB 3.38Å; D532-A536 PolarHBondContact O-N 3.11Å; D532-L541 HydrophobicContact CB-CD1 4.06Å; D532-L541 HydrophobicContact CB-CD2 4.1Å
533	K	94.8	Very high	94	Very high	105 Å²	105	54.5 Å²	54.5	46%	0.457	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-42.8	170.8	-178.8	172.5	176.7	174.3	0	112.3	R529 F530 F531 A535 A536 E537	R529-K533 WeakPolarHBondContact O-CB 3.42Å; R529-K533 PolarHBondContact O-N 2.95Å; R529-K533 VanDerWaalsContact O-N 3.13Å; F530-K533 PolarHBondContact O-N 2.99Å; F531-K533 VanDerWaalsContact C-N 3.34Å; K533-A535 VanDerWaalsContact C-N 3.33Å; K533-A535 PolarHBondContact O-N 3.41Å; K533-A536 PolarHBondContact O-N 2.67Å; K533-E537 PolarHBondContact O-N 2.71Å
534	D	94.6	Very high	93.8	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-37.4	175.1	-69.4	-26.8	0	0	0	112.2	R268 R272 V480 F530 F531 D532 E537 Y538	R268-D534 IonicContact CZ-OD1 3.23Å; R268-D534 IonicContact CZ-OD2 3.91Å; R268-D534 IonicContact NE-OD1 3.6Å; R268-D534 IonicContact NE-OD2 3.04Å; R268-D534 PolarHBondContact NE-OD2 3.46Å; R268-D534 IonicContact NH2-OD1 3.4Å; R268-D534 PolarHBondContact NH2-OD1 2.92Å; R268-D534 IonicContact NH2-OD2 2.85Å; R268-D534 PolarHBondContact NH2-OD2 3.33Å; R272-D534 WeakPolarHBondContact CD-OD2 3.44Å; R272-D534 IonicContact CZ-OD1 3.83Å; R272-D534 VanDerWaalsContact CZ-OD1 3.28Å; R272-D534 IonicContact NE-OD1 2.7Å; R272-D534 PolarHBondContact NE-OD1 3.26Å; R272-D534 IonicContact NE-OD2 3.79Å; R272-D534 PolarHBondContact NE-OD2 3.42Å; R272-D534 IonicContact NH2-OD1 3.39Å; R272-D534 PolarHBondContact NH2-OD1 3.05Å; R272-D534 VanDerWaalsContact NH2-OD1 3.14Å; V480-D534 HydrophobicContact CB-CB 4.18Å; V480-D534 HydrophobicContact CG1-CB 4.17Å; V480-D534 HydrophobicContact CG2-CB 4.08Å; F530-D534 VanDerWaalsContact O-CG 3.3Å; F530-D534 PolarHBondContact O-N 2.92Å; F531-D534 WeakPolarHBondContact O-CB 3.24Å; F531-D534 PolarHBondContact O-N 3.35Å; D532-D534 PolarHBondContact O-N 3.44Å; D534-E537 PolarHBondContact O-N 3.03Å; D534-Y538 WeakPolarHBondContact O-CD2 3.39Å
535	A	94.2	Very high	93.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-71.6	-33.6	176.2	0	0	0	0	0	112.4	V480 F531 D532 K533 Y538 D539 A540 L541	V480-A535 HydrophobicContact CB-CB 4.15Å; V480-A535 HydrophobicContact CG1-CB 4.42Å; V480-A535 WeakPolarHBondContact O-CA 3.48Å; F531-A535 PolarHBondContact O-N 2.9Å; D532-A535 PolarHBondContact O-N 3.22Å; K533-A535 VanDerWaalsContact C-N 3.33Å; K533-A535 PolarHBondContact O-N 3.41Å; A535-Y538 CarbonylContact O-C 3.51Å; A535-Y538 PolarHBondContact O-N 2.96Å; A535-D539 PolarHBondContact O-N 3.35Å; A535-A540 PolarHBondContact O-N 2.87Å; A535-L541 HydrophobicContact CB-CB 4Å; A535-L541 HydrophobicContact CB-CD1 4.2Å; A535-L541 PolarHBondContact O-N 3.35Å
536	A	93.9	Very high	93.4	Very high	21 Å²	21	62.4 Å²	62.4	17%	0.174	31%	0.313	C	S	.	.	H	α-helix	trans	-69	-32.2	173.1	0	0	0	0	0	112.5	D532 K533 Y538 D539 L541	D532-A536 WeakPolarHBondContact O-CB 3.38Å; D532-A536 PolarHBondContact O-N 3.11Å; K533-A536 PolarHBondContact O-N 2.67Å; A536-Y538 PolarHBondContact O-N 2.8Å; A536-D539 PolarHBondContact O-N 3.21Å; A536-L541 HydrophobicContact CB-CB 4.32Å; A536-L541 HydrophobicContact CB-CD2 4.13Å
537	E	92.7	Very high	93.2	Very high	123 Å²	123	64.5 Å²	64.5	58%	0.575	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.4	172.2	-169.2	174.9	-178.1	0	0	112.9	R272 K533 D534	R272-E537 IonicContact CZ-OE2 2.73Å; R272-E537 IonicContact NH2-OE1 3.75Å; R272-E537 IonicContact NH2-OE2 3.97Å; R272-E537 PolarHBondContact NH2-OE2 3.25Å; K533-E537 PolarHBondContact O-N 2.71Å; D534-E537 PolarHBondContact O-N 3.03Å
538	Y	89.8	Confident	93.1	Very high	85 Å²	85	64.9 Å²	64.9	33%	0.333	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	12.7	174.9	-70.2	-61.6	0	0	0	114.3	V480 R481 D534 A535 A536 A540	V480-Y538 HydrophobicContact CG2-CD2 4.29Å; V480-Y538 HydrophobicContact CG2-CE2 4.18Å; R481-Y538 HydrophobicContact CB-CD1 4.14Å; R481-Y538 HydrophobicContact CB-CD2 3.65Å; R481-Y538 HydrophobicContact CB-CE1 4.34Å; R481-Y538 HydrophobicContact CB-CE2 3.88Å; R481-Y538 HydrophobicContact CB-CG 3.8Å; R481-Y538 HydrophobicContact CG-CD1 3.84Å; R481-Y538 HydrophobicContact CG-CD2 4.27Å; R481-Y538 HydrophobicContact CG-CE1 4.11Å; R481-Y538 HydrophobicContact CG-CG 3.93Å; D534-Y538 WeakPolarHBondContact O-CD2 3.39Å; A535-Y538 CarbonylContact O-C 3.51Å; A535-Y538 PolarHBondContact O-N 2.96Å; A536-Y538 PolarHBondContact O-N 2.8Å; Y538-A540 PolarHBondContact O-N 3.32Å
539	D	89.4	Confident	92.9	Very high	141 Å²	141	66.4 Å²	66.4	75%	0.754	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	27.5	-172.4	-69.3	-50.4	0	0	0	113.6	A535 A536	A535-D539 PolarHBondContact O-N 3.35Å; A536-D539 PolarHBondContact O-N 3.21Å
540	A	88.8	Confident	92.8	Very high	5 Å²	5	58.8 Å²	58.8	4%	0.041	31%	0.312	C	S	.	.			trans	-111	4.1	-169	0	0	0	0	0	114	V480 S489 A535 Y538	V480-A540 WeakPolarHBondContact O-CB 3.31Å; S489-A540 PolarHBondContact N-O 2.88Å; A535-A540 PolarHBondContact O-N 2.87Å; Y538-A540 PolarHBondContact O-N 3.32Å
541	L	93.8	Very high	92.8	Very high	29 Å²	29	55.5 Å²	55.5	15%	0.152	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.7	178.5	-174.9	69.6	0	0	0	111.5	S489 V491 D532 A535 A536 L878	S489-L541 CarbonylContact O-C 3.6Å; S489-L541 WeakPolarHBondContact O-CA 3.38Å; V491-L541 HydrophobicContact CG2-CD1 4.02Å; V491-L541 HydrophobicContact CG2-CD2 4.14Å; V491-L541 HydrophobicContact CG2-CG 4.14Å; D532-L541 HydrophobicContact CB-CD1 4.06Å; D532-L541 HydrophobicContact CB-CD2 4.1Å; A535-L541 HydrophobicContact CB-CB 4Å; A535-L541 HydrophobicContact CB-CD1 4.2Å; A535-L541 PolarHBondContact O-N 3.35Å; A536-L541 HydrophobicContact CB-CB 4.32Å; A536-L541 HydrophobicContact CB-CD2 4.13Å; L541-L878 HydrophobicContact CD2-CD2 4.17Å
542	V	93.7	Very high	92.7	Very high	49 Å²	49	60.5 Å²	60.5	30%	0.297	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	161.8	174.2	-60.5	0	0	0	0	112.4	V488 S489 Y490 V491 L548	V488-V542 HydrophobicContact CB-CG1 4.17Å; V488-V542 HydrophobicContact CB-CG2 4.3Å; V488-V542 HydrophobicContact CG2-CB 4.49Å; V488-V542 HydrophobicContact CG2-CG1 3.97Å; V488-V542 HydrophobicContact CG2-CG2 3.66Å; S489-V542 PolarHBondContact O-N 2.82Å; Y490-V542 VanDerWaalsContact CA-O 3.28Å; Y490-V542 WeakPolarHBondContact CA-O 3.47Å; V491-V542 PolarHBondContact N-O 3.06Å; V542-L548 HydrophobicContact CG2-CD1 4.44Å; V542-L548 HydrophobicContact CG2-CD2 3.7Å
543	S	93.4	Very high	92.6	Very high	92 Å²	92	61.7 Å²	61.7	64%	0.643	32%	0.324	S	S	*	.			trans	-63.3	145.1	168.2	51	0	0	0	0	111	S545	S543-S545 PolarHBondContact O-N 3.26Å
544	K	91.7	Very high	92.6	Very high	128 Å²	128	56.8 Å²	56.8	56%	0.557	30%	0.303	S	S	*	.			trans	-66.6	123.9	175.2	-176.3	-167.9	174.2	-160.8	0	109.7	Y490 F551	Y490-K544 HydrophobicContact CD2-CB 4.23Å; Y490-K544 HydrophobicContact CD2-CG 4.06Å; K544-F551 HydrophobicContact CD-CE2 4.39Å; K544-F551 HydrophobicContact CG-CD2 4.23Å; K544-F551 HydrophobicContact CG-CE2 4.37Å
545	S	91.6	Very high	92.6	Very high	45 Å²	45	58.8 Å²	58.8	32%	0.315	32%	0.317	S	S	.	.			trans	-142.6	141	179.7	179.2	0	0	0	0	111.3	S543 T547 L548 F551	S543-S545 PolarHBondContact O-N 3.26Å; S545-T547 PolarHBondContact O-N 3.35Å; S545-T547 PolarHBondContact OG-N 3Å; S545-T547 PolarHBondContact OG-OG1 3.43Å; S545-L548 WeakPolarHBondContact O-CB 3.22Å; S545-L548 PolarHBondContact O-N 2.92Å; S545-L548 VanDerWaalsContact O-N 3.12Å; S545-F551 WeakPolarHBondContact O-CD1 3.48Å
546	D	90.8	Very high	92.7	Very high	120 Å²	120	63.3 Å²	63.3	64%	0.642	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.8	177	-60	-19.7	0	0	0	112.7	L548 F551 Q552	D546-L548 VanDerWaalsContact C-N 3.33Å; D546-F551 HydrophobicContact CB-CE1 4.49Å; D546-F551 WeakPolarHBondContact OD1-CE1 3.49Å; D546-Q552 WeakPolarHBondContact O-CG 3.41Å; D546-Q552 PolarHBondContact O-NE2 3.3Å
547	T	90.9	Very high	92.7	Very high	114 Å²	114	62.8 Å²	62.8	70%	0.699	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.5	174.8	58.7	0	0	0	0	114.2	S545	S545-T547 PolarHBondContact O-N 3.35Å; S545-T547 PolarHBondContact OG-N 3Å; S545-T547 PolarHBondContact OG-OG1 3.43Å
548	L	92	Very high	92.8	Very high	23 Å²	23	62.5 Å²	62.5	12%	0.12	33%	0.327	C	S	.	.			trans	-84.8	126.6	-169.3	-172.5	69.1	0	0	0	112.1	V488 Y490 V542 S545 D546 T550 F551 Q552	V488-L548 HydrophobicContact CG2-CD1 3.63Å; V488-L548 HydrophobicContact CG2-CD2 4.27Å; V488-L548 HydrophobicContact CG2-CG 4.48Å; Y490-L548 HydrophobicContact CD1-CD2 3.89Å; Y490-L548 HydrophobicContact CG-CD2 4.27Å; V542-L548 HydrophobicContact CG2-CD1 4.44Å; V542-L548 HydrophobicContact CG2-CD2 3.7Å; S545-L548 WeakPolarHBondContact O-CB 3.22Å; S545-L548 PolarHBondContact O-N 2.92Å; S545-L548 VanDerWaalsContact O-N 3.12Å; D546-L548 VanDerWaalsContact C-N 3.33Å; L548-T550 VanDerWaalsContact C-N 3.33Å; L548-T550 VanDerWaalsContact CD2-OG1 3.28Å; L548-T550 WeakPolarHBondContact CD2-OG1 3.42Å; L548-T550 WeakPolarHBondContact CG-OG1 3.47Å; L548-T550 PolarHBondContact O-N 2.91Å; L548-F551 HydrophobicContact CB-CB 4.15Å; L548-F551 PolarHBondContact O-N 3.08Å; L548-F551 VanDerWaalsContact O-N 3.12Å; L548-Q552 WeakPolarHBondContact O-CG 3.35Å; L548-Q552 PolarHBondContact O-N 3.49Å
549	P	92.3	Very high	93.1	Very high	45 Å²	45	63 Å²	63	29%	0.292	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-37.7	-176.6	-28.5	36.2	0	0	0	114.7	Q552 R553	P549-Q552 PolarHBondContact O-N 3.49Å; P549-R553 VanDerWaalsContact O-CG 3.25Å; P549-R553 WeakPolarHBondContact O-CG 3.4Å; P549-R553 PolarHBondContact O-N 2.88Å
550	T	93.4	Very high	93.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-47	175.9	48.1	0	0	0	0	111.3	E486 V488 L548 Q552 R553 D554	E486-T550 WeakPolarHBondContact O-CG2 3.49Å; V488-T550 PolarHBondContact O-OG1 3.38Å; V488-T550 VanDerWaalsContact O-OG1 3.09Å; L548-T550 VanDerWaalsContact C-N 3.33Å; L548-T550 VanDerWaalsContact CD2-OG1 3.28Å; L548-T550 WeakPolarHBondContact CD2-OG1 3.42Å; L548-T550 WeakPolarHBondContact CG-OG1 3.47Å; L548-T550 PolarHBondContact O-N 2.91Å; T550-Q552 PolarHBondContact O-N 3.21Å; T550-R553 PolarHBondContact O-N 3.31Å; T550-D554 WeakPolarHBondContact O-CB 3.42Å; T550-D554 VanDerWaalsContact O-CG 3.26Å; T550-D554 PolarHBondContact O-N 3.02Å; T550-D554 VanDerWaalsContact O-OD2 3.07Å
551	F	94.4	Very high	93.6	Very high	23 Å²	23	59.7 Å²	59.7	10%	0.101	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-40.6	176.3	178.2	-103.3	0	0	0	112.7	Y490 K544 S545 D546 L548 R553 D554 S555	Y490-F551 HydrophobicContact CD1-CB 3.98Å; Y490-F551 HydrophobicContact CE1-CB 3.8Å; Y490-F551 HydrophobicContact CE1-CD2 4.13Å; Y490-F551 HydrophobicContact CE1-CG 4.49Å; Y490-F551 HydrophobicContact CE2-CD2 4.13Å; Y490-F551 AromaticContact CZ-CD2 3.83Å; K544-F551 HydrophobicContact CD-CE2 4.39Å; K544-F551 HydrophobicContact CG-CD2 4.23Å; K544-F551 HydrophobicContact CG-CE2 4.37Å; S545-F551 WeakPolarHBondContact O-CD1 3.48Å; D546-F551 HydrophobicContact CB-CE1 4.49Å; D546-F551 WeakPolarHBondContact OD1-CE1 3.49Å; L548-F551 HydrophobicContact CB-CB 4.15Å; L548-F551 PolarHBondContact O-N 3.08Å; L548-F551 VanDerWaalsContact O-N 3.12Å; F551-R553 PolarHBondContact O-N 3.49Å; F551-D554 PolarHBondContact O-N 3.49Å; F551-S555 WeakPolarHBondContact O-CB 3.25Å; F551-S555 PolarHBondContact O-N 3.47Å
552	Q	94.3	Very high	93.5	Very high	104 Å²	104	63.2 Å²	63.2	49%	0.486	34%	0.338	S	S	.	.	H	α-helix	trans	-62.6	-42	175.5	-69.8	179	1.2	0	0	112.3	D546 L548 P549 T550 K556	D546-Q552 WeakPolarHBondContact O-CG 3.41Å; D546-Q552 PolarHBondContact O-NE2 3.3Å; L548-Q552 WeakPolarHBondContact O-CG 3.35Å; L548-Q552 PolarHBondContact O-N 3.49Å; P549-Q552 PolarHBondContact O-N 3.49Å; T550-Q552 PolarHBondContact O-N 3.21Å; Q552-K556 WeakPolarHBondContact O-CB 3.14Å; Q552-K556 PolarHBondContact O-N 3.36Å; Q552-K556 VanDerWaalsContact O-N 3.07Å
553	R	94.1	Very high	93.5	Very high	42 Å²	42	67.6 Å²	67.6	16%	0.158	36%	0.355	C	S	.	.	H	α-helix	trans	-61.1	-47.1	172.3	-69	170.3	-163.6	144.1	7	111.1	D369 F443 E486 P549 T550 F551 S555 D557	D369-R553 IonicContact OD2-CZ 2.62Å; D369-R553 IonicContact OD2-NH1 2.67Å; D369-R553 PolarHBondContact OD2-NH1 2.87Å; F443-R553 HydrophobicContact CD2-CG 4.27Å; F443-R553 HydrophobicContact CE1-CG 4.2Å; F443-R553 HydrophobicContact CE2-CB 4.24Å; F443-R553 HydrophobicContact CE2-CG 3.79Å; F443-R553 HydrophobicContact CZ-CG 3.76Å; E486-R553 PolarHBondContact O-NH1 3.37Å; E486-R553 IonicContact OE2-NH2 2.79Å; P549-R553 VanDerWaalsContact O-CG 3.25Å; P549-R553 WeakPolarHBondContact O-CG 3.4Å; P549-R553 PolarHBondContact O-N 2.88Å; T550-R553 PolarHBondContact O-N 3.31Å; F551-R553 PolarHBondContact O-N 3.49Å; R553-S555 PolarHBondContact O-N 3.5Å; R553-D557 VanDerWaalsContact O-CB 3.25Å; R553-D557 WeakPolarHBondContact O-CB 3.48Å; R553-D557 PolarHBondContact O-N 3.47Å
554	D	95	Very high	93.4	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-73.5	-23.4	-175.9	-67.1	-37.3	0	0	0	113.2	R371 R493 T550 F551 K558	R371-D554 IonicContact CZ-OD1 2.71Å; R371-D554 IonicContact NE-OD1 3.68Å; R371-D554 IonicContact NH2-OD1 3.2Å; R371-D554 PolarHBondContact NH2-OD1 3Å; R493-D554 IonicContact CZ-OD2 3.23Å; R493-D554 VanDerWaalsContact CZ-OD2 3.23Å; R493-D554 IonicContact NE-OD2 3.31Å; R493-D554 PolarHBondContact NE-OD2 3.49Å; R493-D554 IonicContact NH2-OD1 2.68Å; R493-D554 IonicContact NH2-OD2 3.28Å; R493-D554 PolarHBondContact NH2-OD2 3.46Å; T550-D554 WeakPolarHBondContact O-CB 3.42Å; T550-D554 VanDerWaalsContact O-CG 3.26Å; T550-D554 PolarHBondContact O-N 3.02Å; T550-D554 VanDerWaalsContact O-OD2 3.07Å; F551-D554 PolarHBondContact O-N 3.49Å; D554-K558 WeakPolarHBondContact O-CG 3.35Å; D554-K558 PolarHBondContact O-N 2.81Å
555	S	95	Very high	93.4	Very high	42 Å²	42	62.4 Å²	62.4	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-74.7	-53.9	169.3	-165.1	0	0	0	0	111.2	F551 R553 D557 K558 D559	F551-S555 WeakPolarHBondContact O-CB 3.25Å; F551-S555 PolarHBondContact O-N 3.47Å; R553-S555 PolarHBondContact O-N 3.5Å; S555-D557 PolarHBondContact O-N 2.94Å; S555-D557 VanDerWaalsContact O-N 3.09Å; S555-K558 WeakPolarHBondContact O-CA 3.38Å; S555-K558 WeakPolarHBondContact O-CB 3.5Å; S555-K558 PolarHBondContact O-N 3.35Å; S555-D559 PolarHBondContact O-N 2.75Å
556	K	95.3	Very high	93.4	Very high	95 Å²	95	64.1 Å²	64.1	41%	0.413	33%	0.327	S	S	.	.	H	α-helix	trans	-54.1	-33.7	176.8	-175.3	-167.6	177.4	-165	0	112.1	N448 Q552 D559 S560	N448-K556 PolarHBondContact ND2-NZ 3.33Å; N448-K556 PolarHBondContact O-NZ 3.4Å; N448-K556 PolarHBondContact OD1-NZ 3.03Å; Q552-K556 WeakPolarHBondContact O-CB 3.14Å; Q552-K556 PolarHBondContact O-N 3.36Å; Q552-K556 VanDerWaalsContact O-N 3.07Å; K556-D559 WeakPolarHBondContact CA-OD2 3.36Å; K556-D559 PolarHBondContact O-N 3.07Å; K556-S560 WeakPolarHBondContact O-CB 3.3Å; K556-S560 PolarHBondContact O-N 2.91Å
557	D	95.4	Very high	93.4	Very high	11 Å²	11	62.8 Å²	62.8	6%	0.059	33%	0.327	C	S	.	.	H	α-helix	trans	-69.8	-35.3	177.6	-162.5	57.5	0	0	0	113.2	R371 R501 R553 S555 I561	R371-D557 IonicContact CZ-OD2 2.99Å; R371-D557 IonicContact NH1-OD2 3.92Å; R371-D557 PolarHBondContact NH1-OD2 3.09Å; R371-D557 IonicContact NH2-OD2 2.9Å; R371-D557 PolarHBondContact NH2-OD2 3.26Å; R501-D557 IonicContact CZ-OD1 3.48Å; R501-D557 IonicContact CZ-OD2 2.94Å; R501-D557 IonicContact NH1-OD1 3.39Å; R501-D557 IonicContact NH2-OD1 2.72Å; R501-D557 PolarHBondContact NH2-OD1 2.87Å; R501-D557 IonicContact NH2-OD2 2.64Å; R501-D557 PolarHBondContact NH2-OD2 3.19Å; R553-D557 VanDerWaalsContact O-CB 3.25Å; R553-D557 WeakPolarHBondContact O-CB 3.48Å; R553-D557 PolarHBondContact O-N 3.47Å; S555-D557 PolarHBondContact O-N 2.94Å; S555-D557 VanDerWaalsContact O-N 3.09Å; D557-I561 VanDerWaalsContact O-CG1 3.31Å; D557-I561 WeakPolarHBondContact O-CG1 3.42Å; D557-I561 PolarHBondContact O-N 3.01Å
558	K	94.8	Very high	93.3	Very high	116 Å²	116	60.8 Å²	60.8	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-68	-42.8	171.2	-69.6	167.7	-177.1	177.6	0	111.3	D554 S555 S560 I561 Q562	D554-K558 WeakPolarHBondContact O-CG 3.35Å; D554-K558 PolarHBondContact O-N 2.81Å; S555-K558 WeakPolarHBondContact O-CA 3.38Å; S555-K558 WeakPolarHBondContact O-CB 3.5Å; S555-K558 PolarHBondContact O-N 3.35Å; K558-S560 VanDerWaalsContact C-N 3.29Å; K558-S560 PolarHBondContact O-N 2.88Å; K558-I561 WeakPolarHBondContact O-CB 3.48Å; K558-I561 PolarHBondContact O-N 3.15Å; K558-Q562 PolarHBondContact O-N 3.11Å
559	D	95	Very high	93.3	Very high	95 Å²	95	64.8 Å²	64.8	51%	0.508	34%	0.337	S	S	.	.	H	α-helix	trans	-58.8	-43.4	176.3	-56	-37.5	0	0	0	110.6	S555 K556 Q562 E563	S555-D559 PolarHBondContact O-N 2.75Å; K556-D559 WeakPolarHBondContact CA-OD2 3.36Å; K556-D559 PolarHBondContact O-N 3.07Å; D559-Q562 PolarHBondContact O-N 3.32Å; D559-E563 WeakPolarHBondContact O-CB 3.34Å; D559-E563 PolarHBondContact O-N 3.43Å
560	S	94.6	Very high	93.2	Very high	60 Å²	60	65.4 Å²	65.4	42%	0.42	34%	0.337	S	S	.	.	H	α-helix	trans	-66.5	-35.8	176.8	-173.8	0	0	0	0	113.4	K556 K558 K564	K556-S560 WeakPolarHBondContact O-CB 3.3Å; K556-S560 PolarHBondContact O-N 2.91Å; K558-S560 VanDerWaalsContact C-N 3.29Å; K558-S560 PolarHBondContact O-N 2.88Å; S560-K564 WeakPolarHBondContact O-CB 3.4Å; S560-K564 PolarHBondContact O-N 3.21Å
561	I	93.5	Very high	93.2	Very high	18 Å²	18	66 Å²	66	9%	0.092	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-45.6	170.8	-72.3	167.2	0	0	0	110.4	L498 P500 R501 D557 K558 K564 L565	L498-I561 HydrophobicContact CD2-CD1 4.43Å; P500-I561 HydrophobicContact CB-CG2 3.73Å; R501-I561 HydrophobicContact CB-CD1 4.34Å; R501-I561 HydrophobicContact CB-CG1 4.3Å; R501-I561 VanDerWaalsContact NH2-CG1 3.32Å; D557-I561 VanDerWaalsContact O-CG1 3.31Å; D557-I561 WeakPolarHBondContact O-CG1 3.42Å; D557-I561 PolarHBondContact O-N 3.01Å; K558-I561 WeakPolarHBondContact O-CB 3.48Å; K558-I561 PolarHBondContact O-N 3.15Å; I561-K564 WeakPolarHBondContact O-CB 3.45Å; I561-K564 PolarHBondContact O-N 2.89Å; I561-L565 HydrophobicContact CG2-CD1 4.01Å; I561-L565 WeakPolarHBondContact O-CG 3.29Å; I561-L565 PolarHBondContact O-N 3.33Å
562	Q	93.3	Very high	93	Very high	102 Å²	102	73 Å²	73	48%	0.477	37%	0.372	S	S	.	.	H	α-helix	trans	-66.3	-41.1	-179.7	-176.7	168.8	-14.6	0	0	112	K558 D559 L565 L566	K558-Q562 PolarHBondContact O-N 3.11Å; D559-Q562 PolarHBondContact O-N 3.32Å; Q562-L565 PolarHBondContact O-N 3.01Å; Q562-L566 HydrophobicContact CG-CD1 3.97Å; Q562-L566 WeakPolarHBondContact O-CB 3.29Å; Q562-L566 WeakPolarHBondContact O-CG 3.45Å; Q562-L566 PolarHBondContact O-N 3.5Å
563	E	93.3	Very high	92.9	Very high	142 Å²	142	76 Å²	76	66%	0.664	38%	0.379	S	S	*	.	H	α-helix	trans	-60.4	-44.9	172.8	-174.9	178.5	-153.7	0	0	111.5	D559 L565 L566 S567	D559-E563 WeakPolarHBondContact O-CB 3.34Å; D559-E563 PolarHBondContact O-N 3.43Å; E563-L565 PolarHBondContact O-N 3.14Å; E563-L566 PolarHBondContact O-N 3.25Å; E563-S567 PolarHBondContact O-N 3.32Å
564	K	91.4	Very high	92.8	Very high	96 Å²	96	75.8 Å²	75.8	42%	0.417	38%	0.38	S	S	.	.	H	α-helix	trans	-55.6	-52.1	175	-177.5	-164.9	169.8	-160.1	0	110.9	R501 S560 I561 L566 S567 E568	R501-K564 PolarHBondContact O-NZ 3.43Å; S560-K564 WeakPolarHBondContact O-CB 3.4Å; S560-K564 PolarHBondContact O-N 3.21Å; I561-K564 WeakPolarHBondContact O-CB 3.45Å; I561-K564 PolarHBondContact O-N 2.89Å; K564-L566 VanDerWaalsContact C-N 3.33Å; K564-L566 PolarHBondContact O-N 3.27Å; K564-S567 WeakPolarHBondContact O-CB 3.19Å; K564-S567 PolarHBondContact O-N 2.8Å; K564-S567 PolarHBondContact O-OG 3.39Å; K564-E568 PolarHBondContact O-N 3.14Å
565	L	92	Very high	92.5	Very high	15 Å²	15	81.8 Å²	81.8	8%	0.079	41%	0.408	C	S	.	.	H	α-helix	trans	-66	-32.8	-178.3	-64.2	168.2	0	0	0	113	P500 I561 Q562 E563 S567 E568 L582	P500-L565 HydrophobicContact CB-CD1 3.86Å; I561-L565 HydrophobicContact CG2-CD1 4.01Å; I561-L565 WeakPolarHBondContact O-CG 3.29Å; I561-L565 PolarHBondContact O-N 3.33Å; Q562-L565 PolarHBondContact O-N 3.01Å; E563-L565 PolarHBondContact O-N 3.14Å; L565-S567 VanDerWaalsContact C-N 3.27Å; L565-S567 PolarHBondContact O-N 2.6Å; L565-E568 PolarHBondContact O-N 3.34Å; L565-L582 HydrophobicContact CB-CD1 3.81Å
566	L	91	Very high	92.3	Very high	80 Å²	80	81.1 Å²	81.1	42%	0.419	40%	0.401	S	S	.	.	H	α-helix	trans	-73.5	-18.1	173.4	-73.5	168.8	0	0	0	113.3	Q562 E563 K564 L582	Q562-L566 HydrophobicContact CG-CD1 3.97Å; Q562-L566 WeakPolarHBondContact O-CB 3.29Å; Q562-L566 WeakPolarHBondContact O-CG 3.45Å; Q562-L566 PolarHBondContact O-N 3.5Å; E563-L566 PolarHBondContact O-N 3.25Å; K564-L566 VanDerWaalsContact C-N 3.33Å; K564-L566 PolarHBondContact O-N 3.27Å; L566-L582 HydrophobicContact CD2-CD1 4.07Å; L566-L582 HydrophobicContact CG-CD1 4.33Å
567	S	90.6	Very high	92.1	Very high	92 Å²	92	76.6 Å²	76.6	64%	0.643	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.6	173.9	80.1	0	0	0	0	113.9	E563 K564 L565	E563-S567 PolarHBondContact O-N 3.32Å; K564-S567 WeakPolarHBondContact O-CB 3.19Å; K564-S567 PolarHBondContact O-N 2.8Å; K564-S567 PolarHBondContact O-OG 3.39Å; L565-S567 VanDerWaalsContact C-N 3.27Å; L565-S567 PolarHBondContact O-N 2.6Å
568	E	89.3	Confident	91.8	Very high	73 Å²	73	79.6 Å²	79.6	34%	0.341	39%	0.394	S	S	.	.	S	Bend	trans	-67.7	146.2	176	-67.5	-178.7	174.7	0	0	111	K564 L565	K564-E568 PolarHBondContact O-N 3.14Å; L565-E568 PolarHBondContact O-N 3.34Å
569	P	90.5	Very high	91.4	Very high	107 Å²	107	78.6 Å²	78.6	70%	0.695	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-65.9	141.5	179.9	28	-34.9	0	0	0	111.1
570	L	92	Very high	91.2	Very high	57 Å²	57	74.4 Å²	74.4	30%	0.298	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-49.5	139.9	175.1	-67.3	177.7	0	0	0	111.4	F577 Y583 V611	L570-F577 HydrophobicContact CB-CZ 4.47Å; L570-Y583 HydrophobicContact CD2-CD2 3.94Å; L570-Y583 HydrophobicContact CD2-CE1 4.15Å; L570-Y583 HydrophobicContact CD2-CE2 3.53Å; L570-Y583 HydrophobicContact CD2-CG 4.45Å; L570-V611 HydrophobicContact CD1-CG2 4.31Å; L570-V611 HydrophobicContact CD2-CG1 4.34Å
571	P	91.6	Very high	91	Very high	13 Å²	13	73 Å²	73	8%	0.084	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-55.5	151.6	-177.5	-24.7	30.9	0	0	0	114.2	V508 D576 F577 F606	V508-P571 HydrophobicContact CG2-CG 4.36Å; P571-D576 HydrophobicContact CB-CB 3.42Å; P571-D576 VanDerWaalsContact CB-CB 3.42Å; P571-D576 HydrophobicContact CG-CB 4.3Å; P571-F577 HydrophobicContact CB-CD2 4.03Å; P571-F577 HydrophobicContact CB-CE2 3.72Å; P571-F577 HydrophobicContact CB-CZ 4.05Å; P571-F577 HydrophobicContact CG-CD2 4.49Å; P571-F577 HydrophobicContact CG-CE1 4.29Å; P571-F577 HydrophobicContact CG-CE2 4.25Å; P571-F577 HydrophobicContact CG-CZ 4.15Å; P571-F577 VanDerWaalsContact O-CE2 3.25Å; P571-F577 WeakPolarHBondContact O-CE2 3.28Å; P571-F606 WeakPolarHBondContact O-CD2 3.36Å; P571-F606 VanDerWaalsContact O-CE2 3.29Å; P571-F606 WeakPolarHBondContact O-CE2 3.46Å
572	K	90.8	Very high	90.9	Very high	169 Å²	169	73.6 Å²	73.6	74%	0.735	36%	0.364	S	S	*	.	S	Bend	trans	-99.7	-26.4	-167.1	-67.6	177	-177	169.6	0	113.6	D576 F606	K572-D576 PolarHBondContact N-OD2 3.08Å; K572-F606 WeakPolarHBondContact O-CE2 3.26Å; K572-F606 WeakPolarHBondContact O-CZ 3.41Å
573	R	92	Very high	91	Very high	169 Å²	169	69.5 Å²	69.5	64%	0.638	34%	0.344	S	S	*	.	S	Bend	trans	-104.9	167.1	175.3	-45.1	171.1	170.3	173.4	-3.8	109.4	D576 F577	R573-D576 WeakPolarHBondContact CA-OD2 3.34Å; R573-D576 WeakPolarHBondContact CB-OD1 3.46Å; R573-D576 WeakPolarHBondContact CB-OD2 3.05Å; R573-D576 PolarHBondContact N-OD2 2.92Å; R573-F577 WeakPolarHBondContact O-CD2 3.2Å
574	M	91.9	Very high	91	Very high	36 Å²	36	62.8 Å²	62.8	18%	0.177	31%	0.313	C	S	.	.	S	Bend	trans	-80.8	-37.8	-177.6	-159.8	82.3	-77.9	0	0	113.1	D576 F577 L585 R587 H588 F606	M574-D576 PolarHBondContact O-N 3.38Å; M574-F577 HydrophobicContact CE-CB 4.31Å; M574-F577 HydrophobicContact CE-CD2 3.48Å; M574-F577 VanDerWaalsContact CE-CD2 3.48Å; M574-F577 HydrophobicContact CE-CE2 3.97Å; M574-F577 HydrophobicContact CE-CG 4.09Å; M574-F577 PolarHBondContact O-N 3.31Å; M574-F577 VanDerWaalsContact O-N 3.16Å; M574-L585 HydrophobicContact CE-CD1 3.13Å; M574-L585 HydrophobicContact SD-CD1 4.27Å; M574-R587 PolarHBondContact SD-NH1 3.14Å; M574-R587 VanDerWaalsContact SD-NH1 3.37Å; M574-H588 PolarHBondContact O-CE1 3.32Å; M574-F606 HydrophobicContact CE-CD1 3.21Å; M574-F606 HydrophobicContact CE-CE1 3.24Å; M574-F606 HydrophobicContact CE-CG 4.01Å; M574-F606 HydrophobicContact CE-CZ 4.06Å; M574-F606 HydrophobicContact SD-CD1 3.83Å; M574-F606 HydrophobicContact SD-CE1 3.55Å; M574-F606 VanDerWaalsContact SD-CE1 3.55Å
575	Q	90.1	Very high	91.2	Very high	129 Å²	129	58.2 Å²	58.2	60%	0.603	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-56.5	-37.1	175.8	-69.3	152.6	-35.6	0	0	111.1	F577 K578	Q575-F577 PolarHBondContact O-N 3.23Å; Q575-F577 VanDerWaalsContact O-N 3.09Å; Q575-K578 WeakPolarHBondContact O-CB 3.34Å; Q575-K578 PolarHBondContact O-N 3.48Å
576	D	90.4	Very high	91.2	Very high	28 Å²	28	63.3 Å²	63.3	15%	0.15	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-56.3	-26.2	178.3	-46	-13.1	0	0	0	114.6	V508 P571 K572 R573 M574 H580	V508-D576 HydrophobicContact CG1-CB 3.72Å; V508-D576 HydrophobicContact CG2-CB 4.12Å; P571-D576 HydrophobicContact CB-CB 3.42Å; P571-D576 VanDerWaalsContact CB-CB 3.42Å; P571-D576 HydrophobicContact CG-CB 4.3Å; K572-D576 PolarHBondContact N-OD2 3.08Å; R573-D576 WeakPolarHBondContact CA-OD2 3.34Å; R573-D576 WeakPolarHBondContact CB-OD1 3.46Å; R573-D576 WeakPolarHBondContact CB-OD2 3.05Å; R573-D576 PolarHBondContact N-OD2 2.92Å; M574-D576 PolarHBondContact O-N 3.38Å; D576-H580 PolarHBondContact O-CD2 2.99Å
577	F	91.4	Very high	91.3	Very high	1 Å²	1	66 Å²	66	0%	0.004	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-87	-2.2	176.6	-71.4	-94.5	0	0	0	113.5	L570 P571 R573 M574 Q575 L585 H588 F606 V611	L570-F577 HydrophobicContact CB-CZ 4.47Å; P571-F577 HydrophobicContact CB-CD2 4.03Å; P571-F577 HydrophobicContact CB-CE2 3.72Å; P571-F577 HydrophobicContact CB-CZ 4.05Å; P571-F577 HydrophobicContact CG-CD2 4.49Å; P571-F577 HydrophobicContact CG-CE1 4.29Å; P571-F577 HydrophobicContact CG-CE2 4.25Å; P571-F577 HydrophobicContact CG-CZ 4.15Å; P571-F577 VanDerWaalsContact O-CE2 3.25Å; P571-F577 WeakPolarHBondContact O-CE2 3.28Å; R573-F577 WeakPolarHBondContact O-CD2 3.2Å; M574-F577 HydrophobicContact CE-CB 4.31Å; M574-F577 HydrophobicContact CE-CD2 3.48Å; M574-F577 VanDerWaalsContact CE-CD2 3.48Å; M574-F577 HydrophobicContact CE-CE2 3.97Å; M574-F577 HydrophobicContact CE-CG 4.09Å; M574-F577 PolarHBondContact O-N 3.31Å; M574-F577 VanDerWaalsContact O-N 3.16Å; Q575-F577 PolarHBondContact O-N 3.23Å; Q575-F577 VanDerWaalsContact O-N 3.09Å; F577-L585 HydrophobicContact CB-CD1 3.47Å; F577-L585 VanDerWaalsContact CB-CD1 3.47Å; F577-L585 HydrophobicContact CB-CG 4.15Å; F577-L585 HydrophobicContact CD1-CD1 3.83Å; F577-L585 HydrophobicContact CD1-CD2 4.44Å; F577-L585 HydrophobicContact CD1-CG 3.96Å; F577-L585 HydrophobicContact CD2-CD1 4.04Å; F577-L585 HydrophobicContact CG-CD1 3.54Å; F577-L585 HydrophobicContact CG-CG 4.17Å; F577-H588 PolarHBondContact O-ND1 2.99Å; F577-F606 HydrophobicContact CE2-CB 4.23Å; F577-F606 HydrophobicContact CE2-CD1 4.33Å; F577-F606 AromaticContact CE2-CD2 3.47Å; F577-F606 HydrophobicContact CE2-CD2 3.47Å; F577-F606 VanDerWaalsContact CE2-CD2 3.47Å; F577-F606 AromaticContact CE2-CE2 3.81Å; F577-F606 HydrophobicContact CE2-CE2 3.81Å; F577-F606 AromaticContact CE2-CG 3.75Å; F577-F606 HydrophobicContact CE2-CG 3.75Å; F577-F606 HydrophobicContact CE2-CZ 4.36Å; F577-F606 HydrophobicContact CZ-CB 3.95Å; F577-F606 AromaticContact CZ-CD2 3.75Å; F577-F606 HydrophobicContact CZ-CD2 3.75Å; F577-F606 HydrophobicContact CZ-CE2 4.49Å; F577-F606 AromaticContact CZ-CG 3.95Å; F577-F606 HydrophobicContact CZ-CG 3.95Å; F577-V611 HydrophobicContact CE1-CG1 4.08Å; F577-V611 HydrophobicContact CE1-CG2 4.02Å; F577-V611 HydrophobicContact CZ-CG2 4.49Å
578	K	88.9	Confident	91.4	Very high	73 Å²	73	64.1 Å²	64.1	32%	0.317	30%	0.302	S	S	.	.	S	Bend	trans	-81.2	121.4	177.6	-168.3	177	179.9	179.6	0	108.5	E180 Q575 H580	E180-K578 VanDerWaalsContact OE1-CE 3.25Å; E180-K578 WeakPolarHBondContact OE1-CE 3.42Å; E180-K578 IonicContact OE1-NZ 2.72Å; E180-K578 PolarHBondContact OE1-NZ 3.48Å; E180-K578 IonicContact OE2-NZ 2.66Å; E180-K578 PolarHBondContact OE2-NZ 2.95Å; Q575-K578 WeakPolarHBondContact O-CB 3.34Å; Q575-K578 PolarHBondContact O-N 3.48Å; K578-H580 PolarHBondContact O-N 3.17Å; K578-H580 VanDerWaalsContact O-N 3.12Å
579	N	85.1	Confident	91.5	Very high	96 Å²	96	62.5 Å²	62.5	51%	0.513	30%	0.296	S	S	.	.	S	Bend	trans	57.5	19.5	-176.1	-59.5	-24.4	0	0	0	115.7
580	H	90.9	Very high	91.6	Very high	7 Å²	7	60.4 Å²	60.4	3%	0.032	28%	0.278	C	S	.	.			trans	-56.6	137.8	175.1	-166.9	-91.5	0	0	0	111.4	C507 D576 K578 L582 Y583	C507-H580 VanDerWaalsContact CB-NE2 3.29Å; C507-H580 WeakPolarHBondContact CB-NE2 3.29Å; C507-H580 PolarHBondContact O-CD2 3.41Å; D576-H580 PolarHBondContact O-CD2 2.99Å; K578-H580 PolarHBondContact O-N 3.17Å; K578-H580 VanDerWaalsContact O-N 3.12Å; H580-L582 PolarHBondContact ND1-N 2.96Å; H580-Y583 AromaticContact CE1-CD2 3.08Å; H580-Y583 WeakPolarHBondContact CE1-CD2 3.29Å; H580-Y583 AromaticContact CE1-CE2 3.48Å; H580-Y583 VanDerWaalsContact CE1-CE2 3.48Å; H580-Y583 WeakPolarHBondContact CE1-CE2 3.43Å; H580-Y583 AromaticContact CE1-CG 3.83Å; H580-Y583 AromaticContact ND1-CD2 3.32Å; H580-Y583 VanDerWaalsContact ND1-CD2 3.32Å; H580-Y583 WeakPolarHBondContact ND1-CD2 3.44Å; H580-Y583 AromaticContact ND1-CG 3.64Å; H580-Y583 PolarHBondContact ND1-N 3.24Å; H580-Y583 AromaticContact NE2-CD2 3.87Å
581	P	90.7	Very high	91.6	Very high	31 Å²	31	62.2 Å²	62.2	20%	0.201	28%	0.284	C	S	.	.	S	Bend	trans	-70.4	-33.6	-173.6	24.5	-32.2	0	0	0	114.2	C507 R614	C507-P581 HydrophobicContact CB-CG 3.74Å; C507-P581 WeakPolarHBondContact O-CD 3.36Å; P581-R614 WeakPolarHBondContact O-CB 3.36Å; P581-R614 VanDerWaalsContact O-CG 3.31Å; P581-R614 WeakPolarHBondContact O-CG 3.31Å
582	L	92.4	Very high	91.7	Very high	30 Å²	30	64.6 Å²	64.6	16%	0.157	29%	0.293	C	S	.	.	S	Bend	trans	-103.9	-15.9	-172.9	-60.3	177.8	0	0	0	114.2	L565 L566 H580 R614	L565-L582 HydrophobicContact CB-CD1 3.81Å; L566-L582 HydrophobicContact CD2-CD1 4.07Å; L566-L582 HydrophobicContact CG-CD1 4.33Å; H580-L582 PolarHBondContact ND1-N 2.96Å; L582-R614 PolarHBondContact O-N 2.77Å
583	Y	94.1	Very high	91.8	Very high	15 Å²	15	57.8 Å²	57.8	6%	0.059	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.4	-167.6	-56.1	-41.1	0	0	0	111.7	L570 H580 L603 V611 Y612	L570-Y583 HydrophobicContact CD2-CD2 3.94Å; L570-Y583 HydrophobicContact CD2-CE1 4.15Å; L570-Y583 HydrophobicContact CD2-CE2 3.53Å; L570-Y583 HydrophobicContact CD2-CG 4.45Å; H580-Y583 AromaticContact CE1-CD2 3.08Å; H580-Y583 WeakPolarHBondContact CE1-CD2 3.29Å; H580-Y583 AromaticContact CE1-CE2 3.48Å; H580-Y583 VanDerWaalsContact CE1-CE2 3.48Å; H580-Y583 WeakPolarHBondContact CE1-CE2 3.43Å; H580-Y583 AromaticContact CE1-CG 3.83Å; H580-Y583 AromaticContact ND1-CD2 3.32Å; H580-Y583 VanDerWaalsContact ND1-CD2 3.32Å; H580-Y583 WeakPolarHBondContact ND1-CD2 3.44Å; H580-Y583 AromaticContact ND1-CG 3.64Å; H580-Y583 PolarHBondContact ND1-N 3.24Å; H580-Y583 AromaticContact NE2-CD2 3.87Å; Y583-L603 HydrophobicContact CD1-CD1 3.91Å; Y583-L603 HydrophobicContact CE1-CD1 3.84Å; Y583-V611 HydrophobicContact CD1-CG1 4.11Å; Y583-V611 HydrophobicContact CG-CG1 3.95Å; Y583-Y612 WeakPolarHBondContact CA-O 3.14Å
584	V	94.5	Very high	91.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.7	170.4	70.5	0	0	0	0	111.1	L589 I595 Y612 L617	V584-L589 HydrophobicContact CG2-CD2 3.89Å; V584-I595 HydrophobicContact CG1-CD1 4.21Å; V584-I595 HydrophobicContact CG1-CG1 4.49Å; V584-Y612 PolarHBondContact N-O 2.83Å; V584-Y612 PolarHBondContact O-N 3.36Å; V584-L617 HydrophobicContact CG1-CB 4.44Å; V584-L617 HydrophobicContact CG2-CD1 4.16Å; V584-L617 HydrophobicContact CG2-CD2 4.32Å
585	L	94.8	Very high	92	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.9	176.2	-69.7	173.5	0	0	0	109.6	M574 F577 R587 H588 E609 V611	M574-L585 HydrophobicContact CE-CD1 3.13Å; M574-L585 HydrophobicContact SD-CD1 4.27Å; F577-L585 HydrophobicContact CB-CD1 3.47Å; F577-L585 VanDerWaalsContact CB-CD1 3.47Å; F577-L585 HydrophobicContact CB-CG 4.15Å; F577-L585 HydrophobicContact CD1-CD1 3.83Å; F577-L585 HydrophobicContact CD1-CD2 4.44Å; F577-L585 HydrophobicContact CD1-CG 3.96Å; F577-L585 HydrophobicContact CD2-CD1 4.04Å; F577-L585 HydrophobicContact CG-CD1 3.54Å; F577-L585 HydrophobicContact CG-CG 4.17Å; L585-R587 HydrophobicContact CB-CG 4.42Å; L585-R587 PolarHBondContact O-N 2.87Å; L585-H588 PolarHBondContact O-N 3.31Å; L585-E609 HydrophobicContact CD2-CG 4.2Å; L585-V611 HydrophobicContact CD2-CB 4.42Å; L585-V611 HydrophobicContact CD2-CG2 3.87Å
586	Q	93.2	Very high	92.2	Very high	122 Å²	122	47.7 Å²	47.7	57%	0.57	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-62.5	-33.3	-177.9	-159.6	177.5	26.8	0	0	111.8	H588 L589 E609	Q586-H588 VanDerWaalsContact C-N 3.29Å; Q586-H588 PolarHBondContact O-N 2.89Å; Q586-L589 HydrophobicContact CB-CD1 4.49Å; Q586-L589 HydrophobicContact CG-CD1 3.9Å; Q586-L589 WeakPolarHBondContact O-CG 3.16Å; Q586-L589 PolarHBondContact O-N 3Å; Q586-E609 PolarHBondContact N-OE1 2.79Å
587	R	92.2	Very high	92.4	Very high	136 Å²	136	49.6 Å²	49.6	51%	0.513	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-66.1	-25.1	175.4	86.6	178.1	74.4	-166.5	4.2	114.3	M574 L585 E609	M574-R587 PolarHBondContact SD-NH1 3.14Å; M574-R587 VanDerWaalsContact SD-NH1 3.37Å; L585-R587 HydrophobicContact CB-CG 4.42Å; L585-R587 PolarHBondContact O-N 2.87Å; R587-E609 IonicContact CZ-OE2 3.11Å; R587-E609 PolarHBondContact N-OE1 2.94Å; R587-E609 IonicContact NE-OE1 3.87Å; R587-E609 IonicContact NE-OE2 2.68Å; R587-E609 PolarHBondContact NE-OE2 2.91Å; R587-E609 IonicContact NH2-OE2 2.7Å; R587-E609 PolarHBondContact NH2-OE2 3.35Å
588	H	92.6	Very high	92.3	Very high	53 Å²	53	54 Å²	54	25%	0.245	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-94	1.8	-177	-66.5	161.8	0	0	0	113.4	M574 F577 L585 Q586 L590	M574-H588 PolarHBondContact O-CE1 3.32Å; F577-H588 PolarHBondContact O-ND1 2.99Å; L585-H588 PolarHBondContact O-N 3.31Å; Q586-H588 VanDerWaalsContact C-N 3.29Å; Q586-H588 PolarHBondContact O-N 2.89Å; H588-L590 PolarHBondContact O-N 2.98Å
589	L	92.4	Very high	92.4	Very high	39 Å²	39	57.5 Å²	57.5	20%	0.204	29%	0.287	C	S	.	.			trans	-66.9	118.3	178.6	-61.7	175.7	0	0	0	111.1	V584 Q586 I595 L617	V584-L589 HydrophobicContact CG2-CD2 3.89Å; Q586-L589 HydrophobicContact CB-CD1 4.49Å; Q586-L589 HydrophobicContact CG-CD1 3.9Å; Q586-L589 WeakPolarHBondContact O-CG 3.16Å; Q586-L589 PolarHBondContact O-N 3Å; L589-I595 HydrophobicContact CD1-CD1 3.99Å; L589-I595 HydrophobicContact CD1-CG1 3.9Å; L589-I595 HydrophobicContact CD2-CD1 4.08Å; L589-I595 HydrophobicContact CD2-CG1 3.74Å; L589-I595 HydrophobicContact CG-CD1 4.47Å; L589-I595 HydrophobicContact CG-CG1 4.43Å; L589-L617 HydrophobicContact CD2-CD1 3.24Å
590	L	92.3	Very high	92.8	Very high	62 Å²	62	53.8 Å²	53.8	33%	0.325	27%	0.268	S	S	.	.			trans	-62.4	162.8	172.6	-60.4	-176.5	0	0	0	111.1	H588 F592 Q593 K641	H588-L590 PolarHBondContact O-N 2.98Å; L590-F592 PolarHBondContact O-N 3.28Å; L590-F592 VanDerWaalsContact O-N 3.1Å; L590-Q593 HydrophobicContact CB-CB 4.5Å; L590-Q593 HydrophobicContact CB-CG 4.17Å; L590-Q593 PolarHBondContact O-N 3.48Å; L590-K641 PolarHBondContact O-NZ 3.5Å
591	K	90.9	Very high	92.9	Very high	95 Å²	95	60.4 Å²	60.4	41%	0.413	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.2	-48.8	179.8	179.7	-176.1	176.1	-173.3	0	112.8	K641 V643 K644	K591-K641 VanDerWaalsContact O-CE 3.3Å; K591-K641 WeakPolarHBondContact O-CE 3.45Å; K591-K641 PolarHBondContact O-NZ 3.07Å; K591-V643 HydrophobicContact CG-CB 4.08Å; K591-V643 HydrophobicContact CG-CG1 4.07Å; K591-V643 HydrophobicContact CG-CG2 4.5Å; K591-V643 WeakPolarHBondContact O-CG1 3.4Å; K591-K644 WeakPolarHBondContact CE-O 3.34Å; K591-K644 PolarHBondContact NZ-O 2.67Å
592	F	93.5	Very high	93.1	Very high	63 Å²	63	60.7 Å²	60.7	28%	0.276	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.9	-175.9	-67.3	-74.3	0	0	0	114.8	L590 L619 C620 V643 I666	L590-F592 PolarHBondContact O-N 3.28Å; L590-F592 VanDerWaalsContact O-N 3.1Å; F592-L619 HydrophobicContact CB-CD1 3.95Å; F592-C620 PolarHBondContact O-N 2.92Å; F592-V643 HydrophobicContact CE1-CG2 4.12Å; F592-I666 HydrophobicContact CB-CD1 4.47Å; F592-I666 HydrophobicContact CD1-CD1 3.96Å; F592-I666 HydrophobicContact CD1-CG2 3.86Å; F592-I666 HydrophobicContact CE1-CG2 3.89Å
593	Q	93.9	Very high	93.1	Very high	26 Å²	26	64 Å²	64	12%	0.121	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	148	179.4	-73.4	167.6	-8.3	0	0	112.4	L590 L617 H618 L619 K641	L590-Q593 HydrophobicContact CB-CB 4.5Å; L590-Q593 HydrophobicContact CB-CG 4.17Å; L590-Q593 PolarHBondContact O-N 3.48Å; Q593-L617 HydrophobicContact CB-CD1 3.85Å; Q593-L617 HydrophobicContact CG-CD1 4.24Å; Q593-L617 HydrophobicContact CG-CG 4.49Å; Q593-H618 WeakPolarHBondContact CA-O 3.46Å; Q593-L619 HydrophobicContact CG-CD1 4.24Å; Q593-K641 PolarHBondContact O-NZ 2.95Å
594	V	93.8	Very high	93	Very high	22 Å²	22	64.1 Å²	64.1	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.3	177.9	179.3	0	0	0	0	108.5	H618 C620 A640 K641	V594-H618 PolarHBondContact N-O 3.06Å; V594-H618 PolarHBondContact O-N 3.28Å; V594-C620 HydrophobicContact CG2-CB 4.27Å; V594-C620 VanDerWaalsContact CG2-SG 3.51Å; V594-A640 HydrophobicContact CG2-CB 4.44Å; V594-K641 HydrophobicContact CG2-CB 3.83Å; V594-K641 HydrophobicContact CG2-CD 3.77Å; V594-K641 HydrophobicContact CG2-CG 4.49Å
595	I	95.1	Very high	93	Very high	20 Å²	20	71.2 Å²	71.2	10%	0.103	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.2	167.1	-58.7	177.7	0	0	0	107.7	V584 L589 S600 Y612 C616	V584-I595 HydrophobicContact CG1-CD1 4.21Å; V584-I595 HydrophobicContact CG1-CG1 4.49Å; L589-I595 HydrophobicContact CD1-CD1 3.99Å; L589-I595 HydrophobicContact CD1-CG1 3.9Å; L589-I595 HydrophobicContact CD2-CD1 4.08Å; L589-I595 HydrophobicContact CD2-CG1 3.74Å; L589-I595 HydrophobicContact CG-CD1 4.47Å; L589-I595 HydrophobicContact CG-CG1 4.43Å; I595-S600 VanDerWaalsContact CG2-OG 3.29Å; I595-S600 WeakPolarHBondContact CG2-OG 3.43Å; I595-Y612 HydrophobicContact CD1-CD2 3.55Å; I595-Y612 HydrophobicContact CD1-CE2 3.92Å; I595-Y612 HydrophobicContact CD1-CG 3.91Å; I595-Y612 HydrophobicContact CG2-CD1 4.09Å; I595-Y612 HydrophobicContact CG2-CG 4.25Å; I595-C616 CarbonylContact C-O 3.59Å; I595-C616 VanDerWaalsContact CA-O 3.28Å; I595-C616 WeakPolarHBondContact CA-O 3.42Å; I595-C616 HydrophobicContact CG2-CB 3.87Å
596	Y	93.9	Very high	92.9	Very high	81 Å²	81	72.2 Å²	72.2	32%	0.318	36%	0.359	S	S	.	.	S	Bend	trans	-137.9	141.1	179.4	179.6	-92.1	0	0	0	110.6	C616 W670	Y596-C616 PolarHBondContact N-O 2.91Å; Y596-C616 WeakPolarHBondContact O-CA 3.37Å; Y596-W670 VanDerWaalsContact CB-CH2 3.44Å; Y596-W670 AromaticContact CD1-CD2 3.74Å; Y596-W670 HydrophobicContact CD1-CD2 3.74Å; Y596-W670 AromaticContact CD1-CE3 3.54Å; Y596-W670 HydrophobicContact CD1-CE3 3.54Å; Y596-W670 HydrophobicContact CD1-CG 4.33Å; Y596-W670 HydrophobicContact CD1-CH2 4.3Å; Y596-W670 HydrophobicContact CD1-CZ2 4.45Å; Y596-W670 AromaticContact CD1-CZ3 3.84Å; Y596-W670 HydrophobicContact CD1-CZ3 3.84Å; Y596-W670 AromaticContact CD2-CD2 3.88Å; Y596-W670 HydrophobicContact CD2-CD2 3.88Å; Y596-W670 AromaticContact CD2-CE2 3.42Å; Y596-W670 VanDerWaalsContact CD2-CE2 3.42Å; Y596-W670 HydrophobicContact CD2-CE3 4.26Å; Y596-W670 AromaticContact CD2-CH2 3.93Å; Y596-W670 HydrophobicContact CD2-CH2 3.93Å; Y596-W670 AromaticContact CD2-CZ2 3.47Å; Y596-W670 HydrophobicContact CD2-CZ2 3.47Å; Y596-W670 VanDerWaalsContact CD2-CZ2 3.47Å; Y596-W670 HydrophobicContact CD2-CZ3 4.28Å; Y596-W670 AromaticContact CD2-NE1 3.76Å; Y596-W670 HydrophobicContact CE1-CB 4.16Å; Y596-W670 AromaticContact CE1-CD2 3.71Å; Y596-W670 HydrophobicContact CE1-CD2 3.71Å; Y596-W670 AromaticContact CE1-CE3 3.92Å; Y596-W670 HydrophobicContact CE1-CE3 3.92Å; Y596-W670 AromaticContact CE1-CG 3.8Å; Y596-W670 HydrophobicContact CE1-CG 3.8Å; Y596-W670 AromaticContact CE2-CD1 3.71Å; Y596-W670 AromaticContact CE2-CD2 3.86Å; Y596-W670 HydrophobicContact CE2-CD2 3.86Å; Y596-W670 AromaticContact CE2-CE2 3.55Å; Y596-W670 HydrophobicContact CE2-CG 4.01Å; Y596-W670 HydrophobicContact CE2-CZ2 4.09Å; Y596-W670 AromaticContact CE2-NE1 3.41Å; Y596-W670 AromaticContact CG-CD2 3.82Å; Y596-W670 HydrophobicContact CG-CD2 3.82Å; Y596-W670 AromaticContact CG-CE2 3.75Å; Y596-W670 AromaticContact CG-CE3 3.74Å; Y596-W670 HydrophobicContact CG-CE3 3.74Å; Y596-W670 AromaticContact CG-CH2 3.64Å; Y596-W670 HydrophobicContact CG-CH2 3.64Å; Y596-W670 AromaticContact CG-CZ2 3.7Å; Y596-W670 HydrophobicContact CG-CZ2 3.7Å; Y596-W670 AromaticContact CG-CZ3 3.64Å; Y596-W670 HydrophobicContact CG-CZ3 3.64Å; Y596-W670 AromaticContact CZ-CD1 3.63Å; Y596-W670 AromaticContact CZ-CD2 3.77Å; Y596-W670 AromaticContact CZ-CE2 3.97Å; Y596-W670 AromaticContact CZ-CG 3.62Å; Y596-W670 AromaticContact CZ-NE1 3.84Å
597	P	94.6	Very high	92.9	Very high	67 Å²	67	75.3 Å²	75.3	44%	0.435	37%	0.365	S	S	.	.	S	Bend	cis	-57.8	154.1	-8.2	-25.1	36.3	0	0	0	113.3	D599 S600	P597-D599 PolarHBondContact O-N 3.41Å; P597-S600 WeakPolarHBondContact O-CB 3.34Å; P597-S600 PolarHBondContact O-N 2.82Å; P597-S600 VanDerWaalsContact O-N 3.12Å; P597-S600 PolarHBondContact O-OG 3.02Å
598	P	89	Confident	92.9	Very high	94 Å²	94	76.3 Å²	76.3	61%	0.61	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.9	177.7	26.3	-34.2	0	0	0	111.7	S600	P598-S600 PolarHBondContact O-N 3.47Å
599	D	91.5	Very high	92.9	Very high	147 Å²	147	74.9 Å²	74.9	79%	0.786	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	26.4	176.2	-46.3	-63.9	0	0	0	112.6	P597	P597-D599 PolarHBondContact O-N 3.41Å
600	S	92.2	Very high	93	Very high	17 Å²	17	74.4 Å²	74.4	12%	0.119	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-63.7	136.9	179.3	40.2	0	0	0	0	111.5	I595 P597 P598 Y612	I595-S600 VanDerWaalsContact CG2-OG 3.29Å; I595-S600 WeakPolarHBondContact CG2-OG 3.43Å; P597-S600 WeakPolarHBondContact O-CB 3.34Å; P597-S600 PolarHBondContact O-N 2.82Å; P597-S600 VanDerWaalsContact O-N 3.12Å; P597-S600 PolarHBondContact O-OG 3.02Å; P598-S600 PolarHBondContact O-N 3.47Å; S600-Y612 WeakPolarHBondContact O-CE1 3.37Å; S600-Y612 WeakPolarHBondContact OG-CD1 3.39Å
601	I	93.9	Very high	93.2	Very high	146 Å²	146	71.4 Å²	71.4	75%	0.749	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-76.8	124.3	-175.2	-56.9	175.5	0	0	0	108.9
602	P	94.1	Very high	93.4	Very high	37 Å²	37	68.5 Å²	68.5	24%	0.24	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-68.9	136.4	174.9	28.5	-33.8	0	0	0	110.8	G604 Y605 P610 V611	P602-G604 VanDerWaalsContact C-N 3.29Å; P602-Y605 HydrophobicContact CG-CE2 4.47Å; P602-P610 HydrophobicContact CB-CB 3.76Å; P602-P610 HydrophobicContact CG-CB 4.41Å; P602-V611 CarbonylContact C-O 3.59Å; P602-V611 VanDerWaalsContact CA-O 3.27Å; P602-V611 WeakPolarHBondContact CA-O 3.2Å
603	L	92.1	Very high	93.5	Very high	101 Å²	101	66.3 Å²	66.3	53%	0.529	34%	0.337	S	S	.	.	S	Bend	trans	-73.3	-24.7	176.6	-59.2	-179.5	0	0	0	112.1	Y583 V611	Y583-L603 HydrophobicContact CD1-CD1 3.91Å; Y583-L603 HydrophobicContact CE1-CD1 3.84Å; L603-V611 PolarHBondContact N-O 3.47Å
604	G	92.9	Very high	93.5	Very high	16 Å²	16	68.4 Å²	68.4	17%	0.165	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-167	178	0	0	0	0	0	111.5	P602 V611	P602-G604 VanDerWaalsContact C-N 3.29Å; G604-V611 PolarHBondContact O-N 3Å
605	Y	94	Very high	93.4	Very high	152 Å²	152	73.3 Å²	73.3	60%	0.596	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.6	179.1	-66.7	-91.5	0	0	0	111.1	P602 E609 P610	P602-Y605 HydrophobicContact CG-CE2 4.47Å; Y605-E609 CarbonylContact C-O 3.58Å; Y605-E609 VanDerWaalsContact CA-O 3.27Å; Y605-E609 WeakPolarHBondContact CA-O 3.3Å; Y605-P610 HydrophobicContact CD1-CB 4.22Å; Y605-P610 HydrophobicContact CE1-CB 3.92Å
606	F	93.2	Very high	93.3	Very high	21 Å²	21	73.7 Å²	73.7	9%	0.092	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116	171	-177.9	-87.8	0	0	0	109.7	P571 K572 M574 F577 N608 E609 V611	P571-F606 WeakPolarHBondContact O-CD2 3.36Å; P571-F606 VanDerWaalsContact O-CE2 3.29Å; P571-F606 WeakPolarHBondContact O-CE2 3.46Å; K572-F606 WeakPolarHBondContact O-CE2 3.26Å; K572-F606 WeakPolarHBondContact O-CZ 3.41Å; M574-F606 HydrophobicContact CE-CD1 3.21Å; M574-F606 HydrophobicContact CE-CE1 3.24Å; M574-F606 HydrophobicContact CE-CG 4.01Å; M574-F606 HydrophobicContact CE-CZ 4.06Å; M574-F606 HydrophobicContact SD-CD1 3.83Å; M574-F606 HydrophobicContact SD-CE1 3.55Å; M574-F606 VanDerWaalsContact SD-CE1 3.55Å; F577-F606 HydrophobicContact CE2-CB 4.23Å; F577-F606 HydrophobicContact CE2-CD1 4.33Å; F577-F606 AromaticContact CE2-CD2 3.47Å; F577-F606 HydrophobicContact CE2-CD2 3.47Å; F577-F606 VanDerWaalsContact CE2-CD2 3.47Å; F577-F606 AromaticContact CE2-CE2 3.81Å; F577-F606 HydrophobicContact CE2-CE2 3.81Å; F577-F606 AromaticContact CE2-CG 3.75Å; F577-F606 HydrophobicContact CE2-CG 3.75Å; F577-F606 HydrophobicContact CE2-CZ 4.36Å; F577-F606 HydrophobicContact CZ-CB 3.95Å; F577-F606 AromaticContact CZ-CD2 3.75Å; F577-F606 HydrophobicContact CZ-CD2 3.75Å; F577-F606 HydrophobicContact CZ-CE2 4.49Å; F577-F606 AromaticContact CZ-CG 3.95Å; F577-F606 HydrophobicContact CZ-CG 3.95Å; F606-N608 PolarHBondContact O-N 3.24Å; F606-E609 PolarHBondContact N-O 2.86Å; F606-E609 PolarHBondContact O-N 3.32Å; F606-V611 HydrophobicContact CB-CG2 4.12Å
607	R	92.4	Very high	93.4	Very high	186 Å²	186	71.1 Å²	71.1	70%	0.702	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	47.8	-177.9	-58.4	-177.5	-170.6	-173	1.7	112.6	E609	R607-E609 VanDerWaalsContact C-N 3.26Å; R607-E609 PolarHBondContact O-N 3.09Å
608	N	91.9	Very high	93.3	Very high	157 Å²	157	70.6 Å²	70.6	84%	0.84	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	3.8	-177.3	-54.1	-10.6	0	0	0	116.8	F606	F606-N608 PolarHBondContact O-N 3.24Å
609	E	94	Very high	93.5	Very high	24 Å²	24	70 Å²	70	11%	0.112	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	135.7	166.9	-170.7	-175.7	-166.5	0	0	110.7	L585 Q586 R587 Y605 F606 R607	L585-E609 HydrophobicContact CD2-CG 4.2Å; Q586-E609 PolarHBondContact N-OE1 2.79Å; R587-E609 IonicContact CZ-OE2 3.11Å; R587-E609 PolarHBondContact N-OE1 2.94Å; R587-E609 IonicContact NE-OE1 3.87Å; R587-E609 IonicContact NE-OE2 2.68Å; R587-E609 PolarHBondContact NE-OE2 2.91Å; R587-E609 IonicContact NH2-OE2 2.7Å; R587-E609 PolarHBondContact NH2-OE2 3.35Å; Y605-E609 CarbonylContact C-O 3.58Å; Y605-E609 VanDerWaalsContact CA-O 3.27Å; Y605-E609 WeakPolarHBondContact CA-O 3.3Å; F606-E609 PolarHBondContact N-O 2.86Å; F606-E609 PolarHBondContact O-N 3.32Å; R607-E609 VanDerWaalsContact C-N 3.26Å; R607-E609 PolarHBondContact O-N 3.09Å
610	P	94.9	Very high	93.7	Very high	28 Å²	28	63 Å²	63	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.5	172.8	24.8	-32.8	0	0	0	112.8	P602 Y605 Y612	P602-P610 HydrophobicContact CB-CB 3.76Å; P602-P610 HydrophobicContact CG-CB 4.41Å; Y605-P610 HydrophobicContact CD1-CB 4.22Å; Y605-P610 HydrophobicContact CE1-CB 3.92Å; P610-Y612 HydrophobicContact CB-CD2 4.5Å; P610-Y612 HydrophobicContact CB-CE2 3.76Å; P610-Y612 HydrophobicContact CG-CE2 3.7Å
611	V	95.7	Very high	93.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.7	171.6	-174.2	0	0	0	0	108.8	L570 F577 Y583 L585 P602 L603 G604 F606	L570-V611 HydrophobicContact CD1-CG2 4.31Å; L570-V611 HydrophobicContact CD2-CG1 4.34Å; F577-V611 HydrophobicContact CE1-CG1 4.08Å; F577-V611 HydrophobicContact CE1-CG2 4.02Å; F577-V611 HydrophobicContact CZ-CG2 4.49Å; Y583-V611 HydrophobicContact CD1-CG1 4.11Å; Y583-V611 HydrophobicContact CG-CG1 3.95Å; L585-V611 HydrophobicContact CD2-CB 4.42Å; L585-V611 HydrophobicContact CD2-CG2 3.87Å; P602-V611 CarbonylContact C-O 3.59Å; P602-V611 VanDerWaalsContact CA-O 3.27Å; P602-V611 WeakPolarHBondContact CA-O 3.2Å; L603-V611 PolarHBondContact N-O 3.47Å; G604-V611 PolarHBondContact O-N 3Å; F606-V611 HydrophobicContact CB-CG2 4.12Å
612	Y	95.7	Very high	93.7	Very high	33 Å²	33	58.9 Å²	58.9	13%	0.129	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	160	177.7	-60.5	-93.4	0	0	0	110.9	Y583 V584 I595 S600 P610	Y583-Y612 WeakPolarHBondContact CA-O 3.14Å; V584-Y612 PolarHBondContact N-O 2.83Å; V584-Y612 PolarHBondContact O-N 3.36Å; I595-Y612 HydrophobicContact CD1-CD2 3.55Å; I595-Y612 HydrophobicContact CD1-CE2 3.92Å; I595-Y612 HydrophobicContact CD1-CG 3.91Å; I595-Y612 HydrophobicContact CG2-CD1 4.09Å; I595-Y612 HydrophobicContact CG2-CG 4.25Å; S600-Y612 WeakPolarHBondContact O-CE1 3.37Å; S600-Y612 WeakPolarHBondContact OG-CD1 3.39Å; P610-Y612 HydrophobicContact CB-CD2 4.5Å; P610-Y612 HydrophobicContact CB-CE2 3.76Å; P610-Y612 HydrophobicContact CG-CE2 3.7Å
613	S	94.9	Very high	93.7	Very high	18 Å²	18	62.5 Å²	62.5	13%	0.126	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	146.6	167.9	-167.8	0	0	0	0	110.3	D615 C616	S613-D615 PolarHBondContact O-N 3.1Å; S613-D615 PolarHBondContact OG-N 3.31Å; S613-D615 PolarHBondContact OG-OD2 2.71Å; S613-C616 PolarHBondContact O-N 2.94Å
614	R	93	Very high	93.6	Very high	69 Å²	69	65.1 Å²	65.1	26%	0.26	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27.6	169.2	-168.1	68.9	178	-171.2	2	111.8	P581 L582 C616 L617	P581-R614 WeakPolarHBondContact O-CB 3.36Å; P581-R614 VanDerWaalsContact O-CG 3.31Å; P581-R614 WeakPolarHBondContact O-CG 3.31Å; L582-R614 PolarHBondContact O-N 2.77Å; R614-C616 PolarHBondContact O-N 3.09Å; R614-L617 WeakPolarHBondContact O-CB 3.4Å; R614-L617 PolarHBondContact O-N 3.04Å
615	D	92.8	Very high	93.6	Very high	126 Å²	126	65.8 Å²	65.8	67%	0.674	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-63.9	-27.7	179	-43.8	-53.6	0	0	0	113	S613 L617	S613-D615 PolarHBondContact O-N 3.1Å; S613-D615 PolarHBondContact OG-N 3.31Å; S613-D615 PolarHBondContact OG-OD2 2.71Å; D615-L617 PolarHBondContact O-N 2.88Å
616	C	93.9	Very high	93.6	Very high	28 Å²	28	59.7 Å²	59.7	19%	0.189	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-77.8	-6	175.4	-56.2	0	0	0	0	112.5	I595 Y596 S613 R614 H618	I595-C616 CarbonylContact C-O 3.59Å; I595-C616 VanDerWaalsContact CA-O 3.28Å; I595-C616 WeakPolarHBondContact CA-O 3.42Å; I595-C616 HydrophobicContact CG2-CB 3.87Å; Y596-C616 PolarHBondContact N-O 2.91Å; Y596-C616 WeakPolarHBondContact O-CA 3.37Å; S613-C616 PolarHBondContact O-N 2.94Å; R614-C616 PolarHBondContact O-N 3.09Å; C616-H618 PolarHBondContact O-CD2 3.19Å
617	L	93.9	Very high	93.6	Very high	26 Å²	26	61.1 Å²	61.1	14%	0.136	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.6	177.7	-173.4	70.5	0	0	0	110.5	V584 L589 Q593 R614 D615	V584-L617 HydrophobicContact CG1-CB 4.44Å; V584-L617 HydrophobicContact CG2-CD1 4.16Å; V584-L617 HydrophobicContact CG2-CD2 4.32Å; L589-L617 HydrophobicContact CD2-CD1 3.24Å; Q593-L617 HydrophobicContact CB-CD1 3.85Å; Q593-L617 HydrophobicContact CG-CD1 4.24Å; Q593-L617 HydrophobicContact CG-CG 4.49Å; R614-L617 WeakPolarHBondContact O-CB 3.4Å; R614-L617 PolarHBondContact O-N 3.04Å; D615-L617 PolarHBondContact O-N 2.88Å
618	H	94.1	Very high	93.6	Very high	56 Å²	56	55.5 Å²	55.5	26%	0.259	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.9	173.3	-60.5	-85.3	0	0	0	111.9	Q593 V594 C616 P669 W670	Q593-H618 WeakPolarHBondContact CA-O 3.46Å; V594-H618 PolarHBondContact N-O 3.06Å; V594-H618 PolarHBondContact O-N 3.28Å; C616-H618 PolarHBondContact O-CD2 3.19Å; H618-P669 HydrophobicContact CB-CG 4.47Å; H618-W670 HydrophobicContact CB-CH2 4.29Å; H618-W670 HydrophobicContact CB-CZ3 3.67Å; H618-W670 AromaticContact CD2-CZ3 3.81Å; H618-W670 AromaticContact CG-CZ3 3.7Å
619	L	93.3	Very high	93.7	Very high	83 Å²	83	51.3 Å²	51.3	44%	0.435	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	128.5	167.1	-170.5	61.6	0	0	0	108.7	F592 Q593 H621	F592-L619 HydrophobicContact CB-CD1 3.95Å; Q593-L619 HydrophobicContact CG-CD1 4.24Å; L619-H621 WeakPolarHBondContact CD2-NE2 3.31Å; L619-H621 WeakPolarHBondContact CG-NE2 3.32Å
620	C	94.2	Very high	93.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.			trans	-113.7	123.1	-178.5	-65.5	0	0	0	0	110.2	F592 V594 I666 F667	F592-C620 PolarHBondContact O-N 2.92Å; V594-C620 HydrophobicContact CG2-CB 4.27Å; V594-C620 VanDerWaalsContact CG2-SG 3.51Å; C620-I666 HydrophobicContact CB-CB 4.08Å; C620-I666 HydrophobicContact CB-CD1 3.78Å; C620-I666 HydrophobicContact CB-CG1 3.84Å; C620-F667 CarbonylContact C-O 3.57Å; C620-F667 WeakPolarHBondContact CA-O 3.41Å; C620-F667 WeakPolarHBondContact CB-O 3.34Å
621	H	93.2	Very high	93.8	Very high	49 Å²	49	51.6 Å²	51.6	23%	0.227	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-101.5	160.1	-175.1	-66	-96.6	0	0	0	111.9	L619 S625 W626 I666 F667	L619-H621 WeakPolarHBondContact CD2-NE2 3.31Å; L619-H621 WeakPolarHBondContact CG-NE2 3.32Å; H621-S625 PolarHBondContact ND1-OG 3.17Å; H621-S625 VanDerWaalsContact ND1-OG 3.09Å; H621-W626 HydrophobicContact CB-CD2 3.96Å; H621-W626 HydrophobicContact CB-CG 4.02Å; H621-W626 HydrophobicContact CB-CZ2 4.27Å; H621-W626 AromaticContact CD2-CZ2 3.86Å; H621-W626 PolarHBondContact O-NE1 3.49Å; H621-I666 WeakPolarHBondContact O-CA 3.15Å; H621-F667 PolarHBondContact N-O 2.59Å; H621-F667 PolarHBondContact O-N 3.2Å
622	T	93.6	Very high	93.7	Very high	27 Å²	27	53.7 Å²	53.7	17%	0.166	26%	0.263	C	S	.	.			trans	-70.7	160.2	169.9	69.5	0	0	0	0	110	E624 S625 W626 V664 I666	T622-E624 PolarHBondContact O-N 2.64Å; T622-S625 PolarHBondContact O-N 2.72Å; T622-S625 WeakPolarHBondContact OG1-CB 3.45Å; T622-S625 PolarHBondContact OG1-N 2.84Å; T622-S625 VanDerWaalsContact OG1-N 3.1Å; T622-W626 PolarHBondContact O-N 2.74Å; T622-V664 HydrophobicContact CG2-CG1 3.59Å; T622-I666 HydrophobicContact CG2-CG2 4.13Å
623	R	93.3	Very high	93.7	Very high	113 Å²	113	52.5 Å²	52.5	43%	0.426	26%	0.26	S	S	.	.	H	α-helix	trans	-56.1	-36.6	175.8	-166.5	177.7	-62.5	-96.5	-2.8	112.6	L627 V633	R623-L627 PolarHBondContact O-N 2.99Å; R623-V633 HydrophobicContact CB-CG2 4.44Å; R623-V633 HydrophobicContact CG-CB 4.26Å; R623-V633 HydrophobicContact CG-CG2 4.24Å; R623-V633 PolarHBondContact NH1-O 2.8Å
624	E	91.1	Very high	93.8	Very high	156 Å²	156	56.4 Å²	56.4	73%	0.729	27%	0.271	S	S	*	.	H	α-helix	trans	-67.6	-36.9	174.4	-59.6	169.7	165.1	0	0	112.7	T622 K628	T622-E624 PolarHBondContact O-N 2.64Å; E624-K628 PolarHBondContact O-N 3.41Å
625	S	92.1	Very high	93.7	Very high	30 Å²	30	60.1 Å²	60.1	21%	0.21	30%	0.296	C	S	.	.	H	α-helix	trans	-78.3	-32	179.6	178.9	0	0	0	0	112.2	H621 T622 L627 K628 E629	H621-S625 PolarHBondContact ND1-OG 3.17Å; H621-S625 VanDerWaalsContact ND1-OG 3.09Å; T622-S625 PolarHBondContact O-N 2.72Å; T622-S625 WeakPolarHBondContact OG1-CB 3.45Å; T622-S625 PolarHBondContact OG1-N 2.84Å; T622-S625 VanDerWaalsContact OG1-N 3.1Å; S625-L627 VanDerWaalsContact C-N 3.32Å; S625-K628 WeakPolarHBondContact O-CB 3.44Å; S625-K628 PolarHBondContact O-N 3.2Å; S625-E629 PolarHBondContact O-N 2.76Å
626	W	95.1	Very high	93.6	Very high	23 Å²	23	63 Å²	63	9%	0.087	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-36.8	169.1	-79.3	122.1	0	0	0	111.8	H621 T622 K628 E629 A630 M631 V633 F667 P669 V672	H621-W626 HydrophobicContact CB-CD2 3.96Å; H621-W626 HydrophobicContact CB-CG 4.02Å; H621-W626 HydrophobicContact CB-CZ2 4.27Å; H621-W626 AromaticContact CD2-CZ2 3.86Å; H621-W626 PolarHBondContact O-NE1 3.49Å; T622-W626 PolarHBondContact O-N 2.74Å; W626-K628 VanDerWaalsContact C-N 3.27Å; W626-K628 PolarHBondContact O-N 2.95Å; W626-E629 HydrophobicContact CE3-CB 4.28Å; W626-E629 HydrophobicContact CE3-CG 4.49Å; W626-E629 CarbonylContact O-C 3.45Å; W626-E629 WeakPolarHBondContact O-CA 3.49Å; W626-E629 WeakPolarHBondContact O-CB 3.32Å; W626-E629 PolarHBondContact O-N 3.4Å; W626-A630 PolarHBondContact O-N 2.82Å; W626-M631 CarbonylContact C-O 3.54Å; W626-M631 HydrophobicContact CB-CB 4.26Å; W626-M631 HydrophobicContact CE3-CB 3.93Å; W626-M631 HydrophobicContact CE3-CG 4.1Å; W626-M631 PolarHBondContact O-N 2.78Å; W626-V633 HydrophobicContact CB-CG2 4.43Å; W626-V633 HydrophobicContact CG-CG2 4.27Å; W626-F667 PolarHBondContact NE1-O 2.95Å; W626-P669 HydrophobicContact CH2-CB 4.07Å; W626-V672 HydrophobicContact CB-CG1 4.32Å; W626-V672 HydrophobicContact CD2-CG1 3.77Å; W626-V672 HydrophobicContact CE3-CG1 4.35Å; W626-V672 HydrophobicContact CE3-CG2 4.43Å; W626-V672 HydrophobicContact CG-CG1 3.75Å; W626-V672 HydrophobicContact CZ3-CG2 4.44Å
627	L	93.1	Very high	93.6	Very high	52 Å²	52	64.8 Å²	64.8	27%	0.272	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-34.6	176.4	-175.1	63	0	0	0	112.4	R623 S625 E629 A630 M631 Y675 F696 M700	R623-L627 PolarHBondContact O-N 2.99Å; S625-L627 VanDerWaalsContact C-N 3.32Å; L627-E629 VanDerWaalsContact C-N 3.27Å; L627-E629 PolarHBondContact O-N 3.39Å; L627-A630 PolarHBondContact O-N 3.27Å; L627-M631 WeakPolarHBondContact CA-O 3.18Å; L627-M631 PolarHBondContact N-O 3.14Å; L627-Y675 HydrophobicContact CD1-CD2 3.74Å; L627-Y675 HydrophobicContact CD1-CE2 3.96Å; L627-Y675 HydrophobicContact CD1-CG 4.39Å; L627-F696 HydrophobicContact CG-CE2 4.34Å; L627-M700 HydrophobicContact CD1-CE 3.8Å; L627-M700 HydrophobicContact CG-CE 4.16Å; L627-M700 WeakPolarHBondContact O-CE 3.49Å
628	K	92.7	Very high	93.5	Very high	68 Å²	68	71.7 Å²	71.7	30%	0.296	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-34.4	171	-64.4	-178.5	178	-173.1	0	112.9	E624 S625 W626 A630 F696	E624-K628 PolarHBondContact O-N 3.41Å; S625-K628 WeakPolarHBondContact O-CB 3.44Å; S625-K628 PolarHBondContact O-N 3.2Å; W626-K628 VanDerWaalsContact C-N 3.27Å; W626-K628 PolarHBondContact O-N 2.95Å; K628-A630 PolarHBondContact O-N 3.34Å; K628-F696 HydrophobicContact CB-CD2 4.34Å; K628-F696 HydrophobicContact CB-CG 4.38Å; K628-F696 HydrophobicContact CG-CD2 4.2Å; K628-F696 HydrophobicContact CG-CE2 4.29Å; K628-F696 HydrophobicContact CG-CG 4.31Å; K628-F696 WeakPolarHBondContact O-CB 3.19Å
629	E	92.8	Very high	93.6	Very high	69 Å²	69	71 Å²	71	32%	0.322	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	3	174.3	-65.9	-53.3	135.3	0	0	113.6	S625 W626 L627 M631 K697	S625-E629 PolarHBondContact O-N 2.76Å; W626-E629 HydrophobicContact CE3-CB 4.28Å; W626-E629 HydrophobicContact CE3-CG 4.49Å; W626-E629 CarbonylContact O-C 3.45Å; W626-E629 WeakPolarHBondContact O-CA 3.49Å; W626-E629 WeakPolarHBondContact O-CB 3.32Å; W626-E629 PolarHBondContact O-N 3.4Å; L627-E629 VanDerWaalsContact C-N 3.27Å; L627-E629 PolarHBondContact O-N 3.39Å; E629-M631 VanDerWaalsContact C-N 3.31Å; E629-M631 HydrophobicContact CB-CG 4.2Å; E629-K697 WeakPolarHBondContact O-CE 3.36Å; E629-K697 PolarHBondContact O-NZ 3.17Å; E629-K697 WeakPolarHBondContact OE2-CE 3.26Å; E629-K697 IonicContact OE2-NZ 2.74Å; E629-K697 PolarHBondContact OE2-NZ 2.85Å
630	A	94.7	Very high	93.6	Very high	9 Å²	9	68.9 Å²	68.9	7%	0.074	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	39.7	-168.2	0	0	0	0	0	113.1	W626 L627 K628 Y675 K697 C699 M700	W626-A630 PolarHBondContact O-N 2.82Å; L627-A630 PolarHBondContact O-N 3.27Å; K628-A630 PolarHBondContact O-N 3.34Å; A630-Y675 VanDerWaalsContact O-CB 3.26Å; A630-Y675 WeakPolarHBondContact O-CB 3.4Å; A630-Y675 PolarHBondContact O-N 3.4Å; A630-K697 HydrophobicContact CB-CB 4.18Å; A630-K697 HydrophobicContact CB-CD 3.98Å; A630-K697 HydrophobicContact CB-CG 4.42Å; A630-C699 VanDerWaalsContact CB-SG 3.57Å; A630-M700 HydrophobicContact CB-CG 3.61Å; A630-M700 HydrophobicContact CB-SD 3.94Å
631	M	95.9	Very high	93.5	Very high	48 Å²	48	72 Å²	72	24%	0.236	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.6	176.8	-60.1	-63	-69.2	0	0	110.8	W626 L627 E629 V672 E673	W626-M631 CarbonylContact C-O 3.54Å; W626-M631 HydrophobicContact CB-CB 4.26Å; W626-M631 HydrophobicContact CE3-CB 3.93Å; W626-M631 HydrophobicContact CE3-CG 4.1Å; W626-M631 PolarHBondContact O-N 2.78Å; L627-M631 WeakPolarHBondContact CA-O 3.18Å; L627-M631 PolarHBondContact N-O 3.14Å; E629-M631 VanDerWaalsContact C-N 3.31Å; E629-M631 HydrophobicContact CB-CG 4.2Å; M631-V672 HydrophobicContact CB-CB 4.19Å; M631-V672 HydrophobicContact CB-CG1 4.49Å; M631-V672 HydrophobicContact CB-CG2 4.44Å; M631-V672 HydrophobicContact CE-CB 3.95Å; M631-V672 HydrophobicContact CE-CG2 3.53Å; M631-E673 CarbonylContact C-O 3.51Å; M631-E673 WeakPolarHBondContact CA-O 3.42Å; M631-E673 VanDerWaalsContact CE-C 3.5Å
632	T	95.2	Very high	93.5	Very high	45 Å²	45	73.4 Å²	73.4	28%	0.276	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.2	172.1	32.9	0	0	0	0	110.9	R634 V672 E673 Y675	T632-R634 PolarHBondContact O-N 2.94Å; T632-V672 CarbonylContact O-C 3.52Å; T632-V672 WeakPolarHBondContact O-CA 3.08Å; T632-V672 WeakPolarHBondContact O-CB 3.32Å; T632-E673 PolarHBondContact N-O 3.02Å; T632-E673 PolarHBondContact O-N 3.38Å; T632-E673 WeakPolarHBondContact OG1-CG 3.28Å; T632-E673 PolarHBondContact OG1-O 3.22Å; T632-Y675 HydrophobicContact CG2-CD2 3.9Å
633	V	95.8	Very high	93.4	Very high	8 Å²	8	72.6 Å²	72.6	5%	0.048	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123.8	170	174.1	0	0	0	0	108.1	R623 W626 E637 F667 V672	R623-V633 HydrophobicContact CB-CG2 4.44Å; R623-V633 HydrophobicContact CG-CB 4.26Å; R623-V633 HydrophobicContact CG-CG2 4.24Å; R623-V633 PolarHBondContact NH1-O 2.8Å; W626-V633 HydrophobicContact CB-CG2 4.43Å; W626-V633 HydrophobicContact CG-CG2 4.27Å; V633-E637 HydrophobicContact CG1-CB 4.22Å; V633-F667 HydrophobicContact CB-CG 4.38Å; V633-F667 HydrophobicContact CG1-CB 4.27Å; V633-F667 HydrophobicContact CG1-CD1 3.43Å; V633-F667 VanDerWaalsContact CG1-CD1 3.43Å; V633-F667 HydrophobicContact CG1-CD2 4.09Å; V633-F667 HydrophobicContact CG1-CE1 3.68Å; V633-F667 HydrophobicContact CG1-CE2 4.32Å; V633-F667 HydrophobicContact CG1-CG 3.66Å; V633-F667 HydrophobicContact CG1-CZ 4.14Å; V633-F667 HydrophobicContact CG2-CB 3.82Å; V633-F667 HydrophobicContact CG2-CD1 4.41Å; V633-F667 HydrophobicContact CG2-CD2 3.82Å; V633-F667 HydrophobicContact CG2-CG 3.75Å; V633-V672 HydrophobicContact CB-CG1 4.35Å; V633-V672 HydrophobicContact CG2-CG1 3.7Å
634	R	95.8	Very high	93.2	Very high	99 Å²	99	74.9 Å²	74.9	37%	0.374	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-56.7	155.2	-173.1	-58.2	-178.6	-171.6	142.3	9.9	112.2	T632 E637 W670 Q671 V672 E673	T632-R634 PolarHBondContact O-N 2.94Å; R634-E637 HydrophobicContact CB-CG 3.83Å; R634-W670 PolarHBondContact NH1-O 3.38Å; R634-Q671 PolarHBondContact N-O 3.05Å; R634-V672 PolarHBondContact NE-O 3Å; R634-V672 PolarHBondContact NH2-O 2.72Å; R634-E673 HydrophobicContact CG-CB 4.32Å; R634-E673 HydrophobicContact CG-CG 4.34Å
635	L	90.8	Very high	92.7	Very high	148 Å²	148	68.7 Å²	68.7	78%	0.775	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	137	174.9	-69.7	164.1	0	0	0	110.5	E637	L635-E637 PolarHBondContact O-N 3.05Å
636	H	91.4	Very high	91.8	Very high	185 Å²	185	78.6 Å²	78.6	86%	0.856	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	5.8	179	-45	-73	0	0	0	117.5
637	E	92.7	Very high	90.6	Very high	67 Å²	67	80.4 Å²	80.4	31%	0.313	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-61.9	138.9	171.1	-85.8	-69.5	169.9	0	0	112.9	V633 R634 L635 Q671	V633-E637 HydrophobicContact CG1-CB 4.22Å; R634-E637 HydrophobicContact CB-CG 3.83Å; L635-E637 PolarHBondContact O-N 3.05Å; E637-Q671 HydrophobicContact CB-CB 4.5Å; E637-Q671 HydrophobicContact CG-CB 4.12Å; E637-Q671 PolarHBondContact OE2-NE2 2.93Å
638	K	93.7	Very high	89.2	Confident	170 Å²	170	81 Å²	81	74%	0.739	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-88	136.4	177.2	-66.6	176.6	-178	172.3	0	109.8	A640 Q671	K638-A640 PolarHBondContact O-N 2.96Å; K638-Q671 PolarHBondContact O-NE2 3.45Å
639	P	94.5	Very high	87.6	Confident	42 Å²	42	84.1 Å²	84.1	27%	0.273	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-61.7	130.1	-179.8	26.2	-35.2	0	0	0	112	K641 V642 E665 F667	P639-K641 PolarHBondContact O-N 2.84Å; P639-V642 HydrophobicContact CB-CG2 4.29Å; P639-V642 HydrophobicContact CG-CG2 3.93Å; P639-E665 HydrophobicContact CB-CB 3.87Å; P639-E665 HydrophobicContact CB-CG 4.01Å; P639-E665 HydrophobicContact CG-CB 4.42Å; P639-E665 HydrophobicContact CG-CG 4Å; P639-F667 HydrophobicContact CB-CD1 4.49Å; P639-F667 HydrophobicContact CB-CE1 3.94Å; P639-F667 HydrophobicContact CB-CZ 3.95Å
640	A	93.2	Very high	86	Confident	38 Å²	38	88.4 Å²	88.4	31%	0.314	43%	0.43	S	S	.	.	S	Bend	trans	-59.9	-30.8	176.9	0	0	0	0	0	112.7	V594 K638 I666 W670	V594-A640 HydrophobicContact CG2-CB 4.44Å; K638-A640 PolarHBondContact O-N 2.96Å; A640-I666 PolarHBondContact N-O 3.5Å; A640-W670 HydrophobicContact CB-CZ2 3.84Å
641	K	93.2	Very high	84.3	Confident	65 Å²	65	94.3 Å²	94.3	28%	0.283	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	150.7	177	-172.6	171.5	176.3	-170.2	0	109.4	L590 K591 Q593 V594 P639 V643 I666	L590-K641 PolarHBondContact O-NZ 3.5Å; K591-K641 VanDerWaalsContact O-CE 3.3Å; K591-K641 WeakPolarHBondContact O-CE 3.45Å; K591-K641 PolarHBondContact O-NZ 3.07Å; Q593-K641 PolarHBondContact O-NZ 2.95Å; V594-K641 HydrophobicContact CG2-CB 3.83Å; V594-K641 HydrophobicContact CG2-CD 3.77Å; V594-K641 HydrophobicContact CG2-CG 4.49Å; P639-K641 PolarHBondContact O-N 2.84Å; K641-V643 HydrophobicContact CD-CG1 4.3Å; K641-V643 HydrophobicContact CG-CG1 3.98Å; K641-I666 HydrophobicContact CB-CD1 4.03Å; K641-I666 HydrophobicContact CB-CG1 3.79Å; K641-I666 HydrophobicContact CD-CD1 4.27Å; K641-I666 HydrophobicContact CG-CD1 4.38Å; K641-I666 PolarHBondContact N-O 3.33Å; K641-I666 WeakPolarHBondContact O-CG1 3.13Å; K641-I666 PolarHBondContact O-N 3.41Å
642	V	93.7	Very high	82.7	Confident	80 Å²	80	98.8 Å²	98.8	49%	0.485	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.7	173.7	-179.3	0	0	0	0	108.3	P639 T663	P639-V642 HydrophobicContact CB-CG2 4.29Å; P639-V642 HydrophobicContact CG-CG2 3.93Å; V642-T663 HydrophobicContact CG1-CG2 3.88Å
643	V	90.2	Very high	81.1	Confident	10 Å²	10	102.5 Å²	102.5	6%	0.061	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	151.8	-169.6	-61	0	0	0	0	112.2	K591 F592 K641 A645 T663 V664 I666	K591-V643 HydrophobicContact CG-CB 4.08Å; K591-V643 HydrophobicContact CG-CG1 4.07Å; K591-V643 HydrophobicContact CG-CG2 4.5Å; K591-V643 WeakPolarHBondContact O-CG1 3.4Å; F592-V643 HydrophobicContact CE1-CG2 4.12Å; K641-V643 HydrophobicContact CD-CG1 4.3Å; K641-V643 HydrophobicContact CG-CG1 3.98Å; V643-A645 PolarHBondContact O-N 3.29Å; V643-T663 CarbonylContact O-C 3.45Å; V643-T663 VanDerWaalsContact O-CA 3.27Å; V643-T663 WeakPolarHBondContact O-CA 3.34Å; V643-V664 HydrophobicContact CG2-CB 4.22Å; V643-V664 PolarHBondContact N-O 3.02Å; V643-V664 PolarHBondContact O-N 2.89Å; V643-I666 HydrophobicContact CG1-CD1 3.92Å; V643-I666 HydrophobicContact CG1-CG1 4.49Å; V643-I666 HydrophobicContact CG2-CG2 4.04Å
644	K	88.6	Confident	79.6	Confident	160 Å²	160	108.3 Å²	108.3	70%	0.696	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	125.7	176.7	-63.9	177	-177.2	174.5	0	110.7	K591	K591-K644 WeakPolarHBondContact CE-O 3.34Å; K591-K644 PolarHBondContact NZ-O 2.67Å
645	A	82.2	Confident	77.6	Confident	27 Å²	27	107.7 Å²	107.7	22%	0.223	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-78.2	157.7	178.9	0	0	0	0	0	112.1	V643 L647 P662 V664	V643-A645 PolarHBondContact O-N 3.29Å; A645-L647 PolarHBondContact O-N 2.96Å; A645-P662 HydrophobicContact CB-CB 3.91Å; A645-P662 HydrophobicContact CB-CG 4.02Å; A645-P662 VanDerWaalsContact CB-O 3.3Å; A645-P662 WeakPolarHBondContact CB-O 3.33Å; A645-P662 PolarHBondContact N-O 2.97Å; A645-V664 HydrophobicContact CB-CG2 3.37Å
646	R	73.5	Confident	75.8	Confident	238 Å²	238	104.4 Å²	104.4	90%	0.898	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-79.6	118	169.2	-171.5	170.1	178.9	151.7	-4	108.6	S648	R646-S648 PolarHBondContact O-N 2.94Å; R646-S648 VanDerWaalsContact O-N 3.1Å
647	L	68.2	Low	74	Confident	61 Å²	61	100.5 Å²	100.5	32%	0.319	51%	0.513	S	S	.	.			trans	-58.1	113.4	175.7	-83.5	165.4	0	0	0	111	A645 R651 K652 P662	A645-L647 PolarHBondContact O-N 2.96Å; L647-R651 HydrophobicContact CD2-CB 4.41Å; L647-R651 HydrophobicContact CD2-CG 3.87Å; L647-K652 HydrophobicContact CB-CD 4.29Å; L647-K652 HydrophobicContact CB-CG 3.78Å; L647-K652 WeakPolarHBondContact O-CE 3.45Å; L647-P662 HydrophobicContact CD2-CG 3.67Å; L647-P662 HydrophobicContact CG-CG 3.93Å
648	S	64.2	Low	72.4	Confident	63 Å²	63	102.6 Å²	102.6	44%	0.441	53%	0.527	S	S	.	.			trans	-62.6	149.6	175.7	70.8	0	0	0	0	111.1	R646 K650 R651 K652	R646-S648 PolarHBondContact O-N 2.94Å; R646-S648 VanDerWaalsContact O-N 3.1Å; S648-K650 PolarHBondContact O-N 3.24Å; S648-R651 PolarHBondContact O-N 3.42Å; S648-R651 PolarHBondContact OG-N 3.42Å; S648-K652 PolarHBondContact O-N 2.85Å
649	M	60.1	Low	71	Confident	134 Å²	134	100.2 Å²	100.2	66%	0.66	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-32	-175.3	-166.4	172.7	-65.8	0	0	112.4	K652 L653	M649-K652 PolarHBondContact O-N 2.85Å; M649-L653 HydrophobicContact CG-CD1 4.36Å; M649-L653 PolarHBondContact O-N 3.49Å
650	K	59.4	Low	69.6	Low	160 Å²	160	103.1 Å²	103.1	70%	0.696	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-48.3	170.8	-170.3	176.2	-178.5	-178.8	0	111.6	S648 K652 L653 L654	S648-K650 PolarHBondContact O-N 3.24Å; K650-K652 PolarHBondContact O-N 3.25Å; K650-L653 PolarHBondContact O-N 3.33Å; K650-L653 VanDerWaalsContact O-N 3.1Å; K650-L654 HydrophobicContact CG-CD1 4.23Å; K650-L654 VanDerWaalsContact O-CD1 3.27Å; K650-L654 WeakPolarHBondContact O-CD1 3.24Å; K650-L654 PolarHBondContact O-N 3.29Å
651	R	58.8	Low	68.5	Low	133 Å²	133	105.1 Å²	105.1	50%	0.502	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-38.1	177.9	-172.3	171.7	-84.8	148.2	-6.6	111.9	L647 S648 L653 L654 Q655	L647-R651 HydrophobicContact CD2-CB 4.41Å; L647-R651 HydrophobicContact CD2-CG 3.87Å; S648-R651 PolarHBondContact O-N 3.42Å; S648-R651 PolarHBondContact OG-N 3.42Å; R651-L653 PolarHBondContact O-N 3.25Å; R651-L654 PolarHBondContact O-N 3.37Å; R651-Q655 HydrophobicContact CG-CG 3.87Å; R651-Q655 PolarHBondContact O-N 2.88Å; R651-Q655 VanDerWaalsContact O-N 3.1Å
652	K	61.8	Low	67.8	Low	142 Å²	142	103 Å²	103	62%	0.617	55%	0.551	S	S	*	*	H	α-helix	trans	-62.8	-16.3	172.1	-67.1	-168.4	178.2	-172.1	0	114.9	L647 S648 M649 K650	L647-K652 HydrophobicContact CB-CD 4.29Å; L647-K652 HydrophobicContact CB-CG 3.78Å; L647-K652 WeakPolarHBondContact O-CE 3.45Å; S648-K652 PolarHBondContact O-N 2.85Å; M649-K652 PolarHBondContact O-N 2.85Å; K650-K652 PolarHBondContact O-N 3.25Å
653	L	61.3	Low	67.5	Low	123 Å²	123	103.5 Å²	103.5	64%	0.644	56%	0.555	S	S	*	*	H	α-helix	trans	-100.9	-14.6	177.8	-83.4	161.9	0	0	0	113.4	M649 K650 R651	M649-L653 HydrophobicContact CG-CD1 4.36Å; M649-L653 PolarHBondContact O-N 3.49Å; K650-L653 PolarHBondContact O-N 3.33Å; K650-L653 VanDerWaalsContact O-N 3.1Å; R651-L653 PolarHBondContact O-N 3.25Å
654	L	64.2	Low	67.5	Low	130 Å²	130	105.3 Å²	105.3	68%	0.681	57%	0.566	S	S	*	*	H	α-helix	trans	-117.2	-10.2	-173.8	-85.6	81.5	0	0	0	114.6	K650 R651 G656	K650-L654 HydrophobicContact CG-CD1 4.23Å; K650-L654 VanDerWaalsContact O-CD1 3.27Å; K650-L654 WeakPolarHBondContact O-CD1 3.24Å; K650-L654 PolarHBondContact O-N 3.29Å; R651-L654 PolarHBondContact O-N 3.37Å; L654-G656 PolarHBondContact O-N 3.33Å
655	Q	54.2	Low	67.7	Low	85 Å²	85	102.5 Å²	102.5	40%	0.397	56%	0.555	S	S	.	*			trans	-71.7	113.9	179.2	-85.3	-178.1	-71.9	0	0	112.3	R651 D658	R651-Q655 HydrophobicContact CG-CG 3.87Å; R651-Q655 PolarHBondContact O-N 2.88Å; R651-Q655 VanDerWaalsContact O-N 3.1Å; Q655-D658 PolarHBondContact NE2-O 3.36Å
656	G	52	Low	68.3	Low	80 Å²	80	101.2 Å²	101.2	83%	0.825	54%	0.544	S	S	*	.	S	Bend	trans	-130.7	5.1	175.5	0	0	0	0	0	115.4	L654	L654-G656 PolarHBondContact O-N 3.33Å
657	S	55.2	Low	69.4	Low	102 Å²	102	89.9 Å²	89.9	71%	0.713	50%	0.502	S	S	*	.	S	Bend	trans	-145.4	-49.3	-175.9	53.1	0	0	0	0	113.7	S659	S657-S659 PolarHBondContact O-N 3.19Å
658	D	58.4	Low	70.7	Confident	112 Å²	112	87 Å²	87	60%	0.599	49%	0.486	S	S	*	.			trans	-87.6	115	-162.4	-56.5	2.1	0	0	0	111.9	Q655	Q655-D658 PolarHBondContact NE2-O 3.36Å
659	S	63.4	Low	72.1	Confident	119 Å²	119	86.8 Å²	86.8	83%	0.832	48%	0.483	S	S	*	.			trans	-85.6	-9.8	-172.9	59.2	0	0	0	0	115.1	S657	S657-S659 PolarHBondContact O-N 3.19Å
660	T	66.3	Low	73.7	Confident	104 Å²	104	83 Å²	83	64%	0.638	46%	0.462	S	S	*	.	S	Bend	trans	-71.9	129.5	-178.7	46.9	0	0	0	0	111
661	P	69.4	Low	75.5	Confident	79 Å²	79	75.7 Å²	75.7	51%	0.513	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-66.8	134.1	173.5	28.3	-33	0	0	0	108.6	T663	P661-T663 PolarHBondContact O-N 3.2Å
662	P	78	Confident	77.2	Confident	21 Å²	21	69.7 Å²	69.7	14%	0.136	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-62.1	140.2	177.7	29	-36.9	0	0	0	109.7	A645 L647	A645-P662 HydrophobicContact CB-CB 3.91Å; A645-P662 HydrophobicContact CB-CG 4.02Å; A645-P662 VanDerWaalsContact CB-O 3.3Å; A645-P662 WeakPolarHBondContact CB-O 3.33Å; A645-P662 PolarHBondContact N-O 2.97Å; L647-P662 HydrophobicContact CD2-CG 3.67Å; L647-P662 HydrophobicContact CG-CG 3.93Å
663	T	87.5	Confident	78.9	Confident	91 Å²	91	66.6 Å²	66.6	56%	0.558	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	164.2	178.4	45.6	0	0	0	0	111.3	V642 V643 P661	V642-T663 HydrophobicContact CG1-CG2 3.88Å; V643-T663 CarbonylContact O-C 3.45Å; V643-T663 VanDerWaalsContact O-CA 3.27Å; V643-T663 WeakPolarHBondContact O-CA 3.34Å; P661-T663 PolarHBondContact O-N 3.2Å
664	V	90.3	Very high	80.5	Confident	48 Å²	48	65.6 Å²	65.6	29%	0.291	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.8	168.1	-157.6	0	0	0	0	108.4	T622 V643 A645	T622-V664 HydrophobicContact CG2-CG1 3.59Å; V643-V664 HydrophobicContact CG2-CB 4.22Å; V643-V664 PolarHBondContact N-O 3.02Å; V643-V664 PolarHBondContact O-N 2.89Å; A645-V664 HydrophobicContact CB-CG2 3.37Å
665	E	94	Very high	82	Confident	100 Å²	100	62.5 Å²	62.5	47%	0.467	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.3	171	-68.8	178.3	177.9	0	0	110.3	P639 F667	P639-E665 HydrophobicContact CB-CB 3.87Å; P639-E665 HydrophobicContact CB-CG 4.01Å; P639-E665 HydrophobicContact CG-CB 4.42Å; P639-E665 HydrophobicContact CG-CG 4Å; E665-F667 HydrophobicContact CB-CE2 3.66Å; E665-F667 HydrophobicContact CB-CZ 3.92Å; E665-F667 WeakPolarHBondContact OE2-CZ 3.44Å
666	I	94.7	Very high	83.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.5	174.3	69.5	175.5	0	0	0	110.9	F592 C620 H621 T622 A640 K641 V643	F592-I666 HydrophobicContact CB-CD1 4.47Å; F592-I666 HydrophobicContact CD1-CD1 3.96Å; F592-I666 HydrophobicContact CD1-CG2 3.86Å; F592-I666 HydrophobicContact CE1-CG2 3.89Å; C620-I666 HydrophobicContact CB-CB 4.08Å; C620-I666 HydrophobicContact CB-CD1 3.78Å; C620-I666 HydrophobicContact CB-CG1 3.84Å; H621-I666 WeakPolarHBondContact O-CA 3.15Å; T622-I666 HydrophobicContact CG2-CG2 4.13Å; A640-I666 PolarHBondContact N-O 3.5Å; K641-I666 HydrophobicContact CB-CD1 4.03Å; K641-I666 HydrophobicContact CB-CG1 3.79Å; K641-I666 HydrophobicContact CD-CD1 4.27Å; K641-I666 HydrophobicContact CG-CD1 4.38Å; K641-I666 PolarHBondContact N-O 3.33Å; K641-I666 WeakPolarHBondContact O-CG1 3.13Å; K641-I666 PolarHBondContact O-N 3.41Å; V643-I666 HydrophobicContact CG1-CD1 3.92Å; V643-I666 HydrophobicContact CG1-CG1 4.49Å; V643-I666 HydrophobicContact CG2-CG2 4.04Å
667	F	96.6	Very high	85.9	Confident	1 Å²	1	60 Å²	60	0%	0.004	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-125.8	144.2	-168.7	-59.7	-91.7	0	0	0	110	C620 H621 W626 V633 P639 E665 Q671	C620-F667 CarbonylContact C-O 3.57Å; C620-F667 WeakPolarHBondContact CA-O 3.41Å; C620-F667 WeakPolarHBondContact CB-O 3.34Å; H621-F667 PolarHBondContact N-O 2.59Å; H621-F667 PolarHBondContact O-N 3.2Å; W626-F667 PolarHBondContact NE1-O 2.95Å; V633-F667 HydrophobicContact CB-CG 4.38Å; V633-F667 HydrophobicContact CG1-CB 4.27Å; V633-F667 HydrophobicContact CG1-CD1 3.43Å; V633-F667 VanDerWaalsContact CG1-CD1 3.43Å; V633-F667 HydrophobicContact CG1-CD2 4.09Å; V633-F667 HydrophobicContact CG1-CE1 3.68Å; V633-F667 HydrophobicContact CG1-CE2 4.32Å; V633-F667 HydrophobicContact CG1-CG 3.66Å; V633-F667 HydrophobicContact CG1-CZ 4.14Å; V633-F667 HydrophobicContact CG2-CB 3.82Å; V633-F667 HydrophobicContact CG2-CD1 4.41Å; V633-F667 HydrophobicContact CG2-CD2 3.82Å; V633-F667 HydrophobicContact CG2-CG 3.75Å; P639-F667 HydrophobicContact CB-CD1 4.49Å; P639-F667 HydrophobicContact CB-CE1 3.94Å; P639-F667 HydrophobicContact CB-CZ 3.95Å; E665-F667 HydrophobicContact CB-CE2 3.66Å; E665-F667 HydrophobicContact CB-CZ 3.92Å; E665-F667 WeakPolarHBondContact OE2-CZ 3.44Å; F667-Q671 HydrophobicContact CB-CB 4.34Å
668	G	94.3	Very high	87.7	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.341	C	S	.	.			trans	-88.2	166.8	177.7	0	0	0	0	0	114	W670 Q671	G668-W670 PolarHBondContact O-N 3.13Å; G668-W670 VanDerWaalsContact O-N 3.12Å; G668-Q671 VanDerWaalsContact N-OE1 3.09Å; G668-Q671 WeakPolarHBondContact O-CB 3.48Å; G668-Q671 PolarHBondContact O-N 3Å
669	P	94.1	Very high	89.4	Confident	58 Å²	58	59.3 Å²	59.3	38%	0.377	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-58.5	-22.1	178	21.3	-33.1	0	0	0	114.3	H618 W626 Q671 V672	H618-P669 HydrophobicContact CB-CG 4.47Å; W626-P669 HydrophobicContact CH2-CB 4.07Å; P669-Q671 VanDerWaalsContact C-N 3.26Å; P669-Q671 PolarHBondContact O-N 3.33Å; P669-V672 WeakPolarHBondContact O-CG2 3.38Å
670	W	94.6	Very high	90.9	Very high	55 Å²	55	54.9 Å²	54.9	21%	0.208	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-73.6	-13	174.7	59.3	94.5	0	0	0	114.2	Y596 H618 R634 A640 G668	Y596-W670 VanDerWaalsContact CB-CH2 3.44Å; Y596-W670 AromaticContact CD1-CD2 3.74Å; Y596-W670 HydrophobicContact CD1-CD2 3.74Å; Y596-W670 AromaticContact CD1-CE3 3.54Å; Y596-W670 HydrophobicContact CD1-CE3 3.54Å; Y596-W670 HydrophobicContact CD1-CG 4.33Å; Y596-W670 HydrophobicContact CD1-CH2 4.3Å; Y596-W670 HydrophobicContact CD1-CZ2 4.45Å; Y596-W670 AromaticContact CD1-CZ3 3.84Å; Y596-W670 HydrophobicContact CD1-CZ3 3.84Å; Y596-W670 AromaticContact CD2-CD2 3.88Å; Y596-W670 HydrophobicContact CD2-CD2 3.88Å; Y596-W670 AromaticContact CD2-CE2 3.42Å; Y596-W670 VanDerWaalsContact CD2-CE2 3.42Å; Y596-W670 HydrophobicContact CD2-CE3 4.26Å; Y596-W670 AromaticContact CD2-CH2 3.93Å; Y596-W670 HydrophobicContact CD2-CH2 3.93Å; Y596-W670 AromaticContact CD2-CZ2 3.47Å; Y596-W670 HydrophobicContact CD2-CZ2 3.47Å; Y596-W670 VanDerWaalsContact CD2-CZ2 3.47Å; Y596-W670 HydrophobicContact CD2-CZ3 4.28Å; Y596-W670 AromaticContact CD2-NE1 3.76Å; Y596-W670 HydrophobicContact CE1-CB 4.16Å; Y596-W670 AromaticContact CE1-CD2 3.71Å; Y596-W670 HydrophobicContact CE1-CD2 3.71Å; Y596-W670 AromaticContact CE1-CE3 3.92Å; Y596-W670 HydrophobicContact CE1-CE3 3.92Å; Y596-W670 AromaticContact CE1-CG 3.8Å; Y596-W670 HydrophobicContact CE1-CG 3.8Å; Y596-W670 AromaticContact CE2-CD1 3.71Å; Y596-W670 AromaticContact CE2-CD2 3.86Å; Y596-W670 HydrophobicContact CE2-CD2 3.86Å; Y596-W670 AromaticContact CE2-CE2 3.55Å; Y596-W670 HydrophobicContact CE2-CG 4.01Å; Y596-W670 HydrophobicContact CE2-CZ2 4.09Å; Y596-W670 AromaticContact CE2-NE1 3.41Å; Y596-W670 AromaticContact CG-CD2 3.82Å; Y596-W670 HydrophobicContact CG-CD2 3.82Å; Y596-W670 AromaticContact CG-CE2 3.75Å; Y596-W670 AromaticContact CG-CE3 3.74Å; Y596-W670 HydrophobicContact CG-CE3 3.74Å; Y596-W670 AromaticContact CG-CH2 3.64Å; Y596-W670 HydrophobicContact CG-CH2 3.64Å; Y596-W670 AromaticContact CG-CZ2 3.7Å; Y596-W670 HydrophobicContact CG-CZ2 3.7Å; Y596-W670 AromaticContact CG-CZ3 3.64Å; Y596-W670 HydrophobicContact CG-CZ3 3.64Å; Y596-W670 AromaticContact CZ-CD1 3.63Å; Y596-W670 AromaticContact CZ-CD2 3.77Å; Y596-W670 AromaticContact CZ-CE2 3.97Å; Y596-W670 AromaticContact CZ-CG 3.62Å; Y596-W670 AromaticContact CZ-NE1 3.84Å; H618-W670 HydrophobicContact CB-CH2 4.29Å; H618-W670 HydrophobicContact CB-CZ3 3.67Å; H618-W670 AromaticContact CD2-CZ3 3.81Å; H618-W670 AromaticContact CG-CZ3 3.7Å; R634-W670 PolarHBondContact NH1-O 3.38Å; A640-W670 HydrophobicContact CB-CZ2 3.84Å; G668-W670 PolarHBondContact O-N 3.13Å; G668-W670 VanDerWaalsContact O-N 3.12Å
671	Q	96.1	Very high	92.1	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.033	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-105.1	5.6	-173.1	-48.3	-165.9	-87.5	0	0	113.7	R634 E637 K638 F667 G668 P669	R634-Q671 PolarHBondContact N-O 3.05Å; E637-Q671 HydrophobicContact CB-CB 4.5Å; E637-Q671 HydrophobicContact CG-CB 4.12Å; E637-Q671 PolarHBondContact OE2-NE2 2.93Å; K638-Q671 PolarHBondContact O-NE2 3.45Å; F667-Q671 HydrophobicContact CB-CB 4.34Å; G668-Q671 VanDerWaalsContact N-OE1 3.09Å; G668-Q671 WeakPolarHBondContact O-CB 3.48Å; G668-Q671 PolarHBondContact O-N 3Å; P669-Q671 VanDerWaalsContact C-N 3.26Å; P669-Q671 PolarHBondContact O-N 3.33Å
672	V	95.8	Very high	92.9	Very high	6 Å²	6	59.8 Å²	59.8	4%	0.036	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	162.4	-175.8	-69.3	0	0	0	0	111.7	W626 M631 T632 V633 R634 P669	W626-V672 HydrophobicContact CB-CG1 4.32Å; W626-V672 HydrophobicContact CD2-CG1 3.77Å; W626-V672 HydrophobicContact CE3-CG1 4.35Å; W626-V672 HydrophobicContact CE3-CG2 4.43Å; W626-V672 HydrophobicContact CG-CG1 3.75Å; W626-V672 HydrophobicContact CZ3-CG2 4.44Å; M631-V672 HydrophobicContact CB-CB 4.19Å; M631-V672 HydrophobicContact CB-CG1 4.49Å; M631-V672 HydrophobicContact CB-CG2 4.44Å; M631-V672 HydrophobicContact CE-CB 3.95Å; M631-V672 HydrophobicContact CE-CG2 3.53Å; T632-V672 CarbonylContact O-C 3.52Å; T632-V672 WeakPolarHBondContact O-CA 3.08Å; T632-V672 WeakPolarHBondContact O-CB 3.32Å; V633-V672 HydrophobicContact CB-CG1 4.35Å; V633-V672 HydrophobicContact CG2-CG1 3.7Å; R634-V672 PolarHBondContact NE-O 3Å; R634-V672 PolarHBondContact NH2-O 2.72Å; P669-V672 WeakPolarHBondContact O-CG2 3.38Å
673	E	96.1	Very high	93.4	Very high	78 Å²	78	60.1 Å²	60.1	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.3	171.2	68.7	-147.3	148.2	0	0	109	M631 T632 R634 Y675	M631-E673 CarbonylContact C-O 3.51Å; M631-E673 WeakPolarHBondContact CA-O 3.42Å; M631-E673 VanDerWaalsContact CE-C 3.5Å; T632-E673 PolarHBondContact N-O 3.02Å; T632-E673 PolarHBondContact O-N 3.38Å; T632-E673 WeakPolarHBondContact OG1-CG 3.28Å; T632-E673 PolarHBondContact OG1-O 3.22Å; R634-E673 HydrophobicContact CG-CB 4.32Å; R634-E673 HydrophobicContact CG-CG 4.34Å; E673-Y675 PolarHBondContact O-N 2.96Å
674	P	95.7	Very high	93.7	Very high	101 Å²	101	60.5 Å²	60.5	66%	0.656	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.5	174.5	-24.1	35.2	0	0	0	111.6	A676	P674-A676 PolarHBondContact O-N 3.33Å
675	Y	94.9	Very high	93.9	Very high	66 Å²	66	58.3 Å²	58.3	26%	0.259	32%	0.32	S	S	.	.			trans	-62.3	121.3	176.2	171.6	-102.6	0	0	0	110.4	L627 A630 T632 E673 P677 P678 M700	L627-Y675 HydrophobicContact CD1-CD2 3.74Å; L627-Y675 HydrophobicContact CD1-CE2 3.96Å; L627-Y675 HydrophobicContact CD1-CG 4.39Å; A630-Y675 VanDerWaalsContact O-CB 3.26Å; A630-Y675 WeakPolarHBondContact O-CB 3.4Å; A630-Y675 PolarHBondContact O-N 3.4Å; T632-Y675 HydrophobicContact CG2-CD2 3.9Å; E673-Y675 PolarHBondContact O-N 2.96Å; Y675-P677 HydrophobicContact CE1-CB 4.02Å; Y675-P677 VanDerWaalsContact O-CD 3.23Å; Y675-P677 WeakPolarHBondContact O-CD 3.48Å; Y675-P678 WeakPolarHBondContact OH-CD 3.11Å; Y675-M700 HydrophobicContact CD1-CB 4.12Å; Y675-M700 HydrophobicContact CD1-CE 4.04Å; Y675-M700 HydrophobicContact CD1-CG 3.87Å; Y675-M700 HydrophobicContact CE1-CB 4Å; Y675-M700 HydrophobicContact CE1-CE 4.01Å; Y675-M700 HydrophobicContact CE1-CG 4.21Å; Y675-M700 HydrophobicContact CG-CE 4.38Å
676	A	94.2	Very high	93.9	Very high	82 Å²	82	55 Å²	55	68%	0.678	31%	0.307	S	S	*	.			trans	-84.4	109.5	172.5	0	0	0	0	0	110.1	P674	P674-A676 PolarHBondContact O-N 3.33Å
677	P	94	Very high	93.9	Very high	30 Å²	30	60.1 Å²	60.1	20%	0.195	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-67.7	142.4	178.6	26.7	-34.2	0	0	0	111.7	Y675 L701 I703	Y675-P677 HydrophobicContact CE1-CB 4.02Å; Y675-P677 VanDerWaalsContact O-CD 3.23Å; Y675-P677 WeakPolarHBondContact O-CD 3.48Å; P677-L701 WeakPolarHBondContact CB-O 3.45Å; P677-I703 HydrophobicContact CB-CG1 4.45Å; P677-I703 HydrophobicContact CG-CD1 4.25Å; P677-I703 HydrophobicContact CG-CG1 3.9Å
678	P	94.3	Very high	93.7	Very high	50 Å²	50	62 Å²	62	33%	0.325	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-66	150.9	178.5	28.5	-35.7	0	0	0	111.4	Y675 P686 P702 I703	Y675-P678 WeakPolarHBondContact OH-CD 3.11Å; P678-P686 HydrophobicContact CB-CB 3.85Å; P678-P686 HydrophobicContact CB-CG 4.08Å; P678-P686 HydrophobicContact CG-CB 3.63Å; P678-P686 HydrophobicContact CG-CG 4.11Å; P678-P702 HydrophobicContact CG-CB 4.31Å; P678-P702 HydrophobicContact CG-CG 4.3Å; P678-P702 CarbonylContact O-C 3.54Å; P678-P702 WeakPolarHBondContact O-CA 3.25Å; P678-P702 WeakPolarHBondContact O-CB 3.26Å; P678-I703 PolarHBondContact O-N 3.01Å
679	K	93.9	Very high	93.5	Very high	150 Å²	150	67.2 Å²	67.2	65%	0.652	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-80.5	140.4	171.4	-62.2	-178.5	179.2	-179	0	110	P686 I703	K679-P686 VanDerWaalsContact O-CG 3.23Å; K679-P686 WeakPolarHBondContact O-CG 3.44Å; K679-I703 HydrophobicContact CG-CB 4.09Å; K679-I703 HydrophobicContact CG-CD1 4.15Å; K679-I703 HydrophobicContact CG-CG2 4.5Å
680	A	94	Very high	93.4	Very high	26 Å²	26	71.8 Å²	71.8	22%	0.215	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-81.5	137.9	169.5	0	0	0	0	0	110.1	P686 I703	A680-P686 HydrophobicContact CB-CG 4.44Å; A680-I703 PolarHBondContact N-O 2.94Å
681	E	91	Very high	93.3	Very high	132 Å²	132	70.5 Å²	70.5	62%	0.617	40%	0.399	S	S	*	.	B	Isolated β-bridge	trans	-134.1	144.2	-176.9	-66.1	-176.8	-177.2	0	0	110.1	G683 I684	E681-G683 PolarHBondContact O-N 3.13Å; E681-G683 VanDerWaalsContact O-N 3.13Å; E681-I684 PolarHBondContact O-N 2.81Å
682	N	87.9	Confident	93.2	Very high	154 Å²	154	71.6 Å²	71.6	82%	0.824	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	31.7	174.7	-51.9	-69.9	0	0	0	114.9	I684	N682-I684 VanDerWaalsContact C-N 3.25Å; N682-I684 PolarHBondContact O-N 2.9Å
683	G	88	Confident	93.1	Very high	27 Å²	27	71.7 Å²	71.7	28%	0.278	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	11.1	-177.7	0	0	0	0	0	115.4	E681 C749 E751	E681-G683 PolarHBondContact O-N 3.13Å; E681-G683 VanDerWaalsContact O-N 3.13Å; G683-C749 VanDerWaalsContact C-SG 3.5Å; G683-E751 VanDerWaalsContact CA-OE1 3.27Å; G683-E751 WeakPolarHBondContact CA-OE1 3.49Å
684	I	93	Very high	93	Very high	100 Å²	100	70 Å²	70	51%	0.513	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-103.3	133.2	-179.1	-59.4	171.7	0	0	0	110.1	E681 N682 P686	E681-I684 PolarHBondContact O-N 2.81Å; N682-I684 VanDerWaalsContact C-N 3.25Å; N682-I684 PolarHBondContact O-N 2.9Å; I684-P686 WeakPolarHBondContact O-CD 3.31Å
685	V	94.5	Very high	93	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.012	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-80.3	125.6	177.7	-177.3	0	0	0	0	109.9	R687 V693 D723 A725 V747	V685-R687 WeakPolarHBondContact O-CG 3.41Å; V685-R687 PolarHBondContact O-NE 3.4Å; V685-V693 HydrophobicContact CG1-CG2 3.82Å; V685-D723 PolarHBondContact N-OD2 3.01Å; V685-A725 HydrophobicContact CB-CB 4.23Å; V685-A725 HydrophobicContact CG1-CB 3.87Å; V685-V747 HydrophobicContact CG1-CB 4.08Å; V685-V747 HydrophobicContact CG1-CG1 3.71Å
686	P	94.4	Very high	92.9	Very high	31 Å²	31	64.5 Å²	64.5	20%	0.201	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-62	136.8	173.6	-22.8	34.4	0	0	0	111.5	P678 K679 A680 I684 V693 P702	P678-P686 HydrophobicContact CB-CB 3.85Å; P678-P686 HydrophobicContact CB-CG 4.08Å; P678-P686 HydrophobicContact CG-CB 3.63Å; P678-P686 HydrophobicContact CG-CG 4.11Å; K679-P686 VanDerWaalsContact O-CG 3.23Å; K679-P686 WeakPolarHBondContact O-CG 3.44Å; A680-P686 HydrophobicContact CB-CG 4.44Å; I684-P686 WeakPolarHBondContact O-CD 3.31Å; P686-V693 WeakPolarHBondContact O-CG2 3.48Å; P686-P702 HydrophobicContact CG-CB 4.18Å
687	R	93.9	Very high	92.8	Very high	107 Å²	107	64 Å²	64	40%	0.404	35%	0.349	S	S	.	.			trans	-130.6	152.2	-171.8	-67.8	154.6	-168.9	-104.4	6.6	112.4	V685 G691 N692 D723 C724 A725	V685-R687 WeakPolarHBondContact O-CG 3.41Å; V685-R687 PolarHBondContact O-NE 3.4Å; R687-G691 WeakPolarHBondContact CD-O 3.27Å; R687-G691 WeakPolarHBondContact CG-O 3.37Å; R687-G691 PolarHBondContact NH1-O 3.08Å; R687-N692 CarbonylContact C-O 3.48Å; R687-N692 WeakPolarHBondContact CA-O 3.34Å; R687-D723 IonicContact CZ-OD1 3.9Å; R687-D723 IonicContact CZ-OD2 3.71Å; R687-D723 IonicContact NE-OD2 3.74Å; R687-D723 IonicContact NH2-OD1 2.75Å; R687-D723 PolarHBondContact NH2-OD1 2.87Å; R687-D723 IonicContact NH2-OD2 2.83Å; R687-D723 PolarHBondContact NH2-OD2 3.35Å; R687-C724 PolarHBondContact NH2-O 3.23Å; R687-A725 HydrophobicContact CG-CB 4.07Å
688	N	92.4	Very high	92.8	Very high	39 Å²	39	68.2 Å²	68.2	21%	0.209	38%	0.377	C	S	.	.			trans	-73.6	177.1	168.8	73	9.7	0	0	0	112	H690 G691 N692 D694	N688-H690 PolarHBondContact O-N 2.86Å; N688-H690 WeakPolarHBondContact OD1-CA 3.39Å; N688-H690 WeakPolarHBondContact OD1-CB 3.16Å; N688-H690 PolarHBondContact OD1-N 2.98Å; N688-G691 PolarHBondContact O-N 2.81Å; N688-G691 PolarHBondContact OD1-N 3.49Å; N688-G691 VanDerWaalsContact OD1-N 3.16Å; N688-N692 PolarHBondContact N-O 3.12Å; N688-N692 PolarHBondContact OD1-N 3.43Å; N688-N692 PolarHBondContact OD1-O 2.89Å; N688-N692 VanDerWaalsContact OD1-O 3.13Å; N688-D694 WeakPolarHBondContact CB-OD2 3.44Å; N688-D694 PolarHBondContact ND2-OD1 2.94Å; N688-D694 VanDerWaalsContact ND2-OD1 3.16Å; N688-D694 PolarHBondContact ND2-OD2 2.91Å
689	A	91.2	Very high	92.8	Very high	110 Å²	110	69.7 Å²	69.7	91%	0.909	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-7.9	179.2	0	0	0	0	0	115
690	H	90.6	Very high	92.8	Very high	155 Å²	155	62.6 Å²	62.6	72%	0.718	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-5	173.8	-62.6	-66.4	0	0	0	113.4	N688	N688-H690 PolarHBondContact O-N 2.86Å; N688-H690 WeakPolarHBondContact OD1-CA 3.39Å; N688-H690 WeakPolarHBondContact OD1-CB 3.16Å; N688-H690 PolarHBondContact OD1-N 2.98Å
691	G	92.3	Very high	92.8	Very high	27 Å²	27	63.7 Å²	63.7	28%	0.278	36%	0.358	S	S	.	.	S	Bend	trans	89.2	6.2	-178.5	0	0	0	0	0	115	R687 N688	R687-G691 WeakPolarHBondContact CD-O 3.27Å; R687-G691 WeakPolarHBondContact CG-O 3.37Å; R687-G691 PolarHBondContact NH1-O 3.08Å; N688-G691 PolarHBondContact O-N 2.81Å; N688-G691 PolarHBondContact OD1-N 3.49Å; N688-G691 VanDerWaalsContact OD1-N 3.16Å
692	N	94.7	Very high	93.1	Very high	30 Å²	30	57.6 Å²	57.6	16%	0.16	33%	0.33	C	S	.	.	S	Bend	trans	-114.2	177	-174.7	-72.6	11.8	0	0	0	111	R687 N688 E726 V728	R687-N692 CarbonylContact C-O 3.48Å; R687-N692 WeakPolarHBondContact CA-O 3.34Å; N688-N692 PolarHBondContact N-O 3.12Å; N688-N692 PolarHBondContact OD1-N 3.43Å; N688-N692 PolarHBondContact OD1-O 2.89Å; N688-N692 VanDerWaalsContact OD1-O 3.13Å; N692-E726 HydrophobicContact CB-CB 4.43Å; N692-E726 WeakPolarHBondContact CB-O 3.46Å; N692-V728 HydrophobicContact CB-CG2 4.04Å
693	V	94.7	Very high	93.4	Very high	8 Å²	8	54.5 Å²	54.5	5%	0.048	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.9	171.8	-177	0	0	0	0	109.2	V685 P686 L695 P702 A725 E726 V728 V747	V685-V693 HydrophobicContact CG1-CG2 3.82Å; P686-V693 WeakPolarHBondContact O-CG2 3.48Å; V693-L695 HydrophobicContact CG1-CB 4.5Å; V693-L695 PolarHBondContact O-N 3.09Å; V693-P702 HydrophobicContact CG1-CG 4.15Å; V693-A725 HydrophobicContact CG2-CB 3.77Å; V693-E726 PolarHBondContact N-O 2.94Å; V693-V728 PolarHBondContact O-N 3.43Å; V693-V747 HydrophobicContact CB-CG2 3.93Å; V693-V747 HydrophobicContact CG1-CG2 4.12Å; V693-V747 HydrophobicContact CG2-CB 4.04Å; V693-V747 HydrophobicContact CG2-CG1 4.38Å; V693-V747 HydrophobicContact CG2-CG2 4.02Å
694	D	94.3	Very high	93.6	Very high	42 Å²	42	55.2 Å²	55.2	23%	0.225	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	107.9	171.8	-63.6	-55.1	0	0	0	109	N688 F696	N688-D694 WeakPolarHBondContact CB-OD2 3.44Å; N688-D694 PolarHBondContact ND2-OD1 2.94Å; N688-D694 VanDerWaalsContact ND2-OD1 3.16Å; N688-D694 PolarHBondContact ND2-OD2 2.91Å; D694-F696 HydrophobicContact CB-CD2 4.42Å; D694-F696 HydrophobicContact CB-CE2 3.69Å; D694-F696 HydrophobicContact CB-CZ 3.77Å
695	L	94.3	Very high	93.8	Very high	11 Å²	11	51 Å²	51	6%	0.058	30%	0.299	C	S	.	.			trans	-125.7	60.1	-169.6	-169.5	63	0	0	0	110.3	V693 M700 L701 H707 A727 V728 V747	V693-L695 HydrophobicContact CG1-CB 4.5Å; V693-L695 PolarHBondContact O-N 3.09Å; L695-M700 HydrophobicContact CD1-CB 4.19Å; L695-L701 HydrophobicContact CD1-CB 4.01Å; L695-L701 HydrophobicContact CD1-CD1 4.33Å; L695-L701 HydrophobicContact CD2-CD1 4.43Å; L695-H707 HydrophobicContact CD2-CB 4.11Å; L695-A727 HydrophobicContact CB-CB 4.4Å; L695-A727 HydrophobicContact CD2-CB 4Å; L695-V728 PolarHBondContact N-O 2.93Å; L695-V747 HydrophobicContact CD2-CG2 4.2Å
696	F	92.9	Very high	93.8	Very high	41 Å²	41	52 Å²	52	18%	0.18	31%	0.308	C	S	.	.	S	Bend	trans	-72.5	-30.1	-176.6	-49.4	-59	0	0	0	113	L627 K628 D694 M700	L627-F696 HydrophobicContact CG-CE2 4.34Å; K628-F696 HydrophobicContact CB-CD2 4.34Å; K628-F696 HydrophobicContact CB-CG 4.38Å; K628-F696 HydrophobicContact CG-CD2 4.2Å; K628-F696 HydrophobicContact CG-CE2 4.29Å; K628-F696 HydrophobicContact CG-CG 4.31Å; K628-F696 WeakPolarHBondContact O-CB 3.19Å; D694-F696 HydrophobicContact CB-CD2 4.42Å; D694-F696 HydrophobicContact CB-CE2 3.69Å; D694-F696 HydrophobicContact CB-CZ 3.77Å; F696-M700 HydrophobicContact CB-SD 3.85Å; F696-M700 HydrophobicContact CD2-CE 3.82Å; F696-M700 HydrophobicContact CD2-SD 3.74Å; F696-M700 HydrophobicContact CE2-CE 4.37Å; F696-M700 HydrophobicContact CG-SD 4.22Å
697	K	93.2	Very high	93.8	Very high	72 Å²	72	53.7 Å²	53.7	31%	0.313	31%	0.313	S	S	.	.	S	Bend	trans	-133.4	153.5	173	-65.9	-174.3	-179.5	174.2	0	110.6	E629 A630 C699 M700	E629-K697 WeakPolarHBondContact O-CE 3.36Å; E629-K697 PolarHBondContact O-NZ 3.17Å; E629-K697 WeakPolarHBondContact OE2-CE 3.26Å; E629-K697 IonicContact OE2-NZ 2.74Å; E629-K697 PolarHBondContact OE2-NZ 2.85Å; A630-K697 HydrophobicContact CB-CB 4.18Å; A630-K697 HydrophobicContact CB-CD 3.98Å; A630-K697 HydrophobicContact CB-CG 4.42Å; K697-C699 PolarHBondContact O-N 3.21Å; K697-C699 VanDerWaalsContact O-N 3.14Å; K697-M700 HydrophobicContact CB-CG 4.5Å; K697-M700 WeakPolarHBondContact O-CB 3.23Å; K697-M700 PolarHBondContact O-N 3.37Å
698	P	93.1	Very high	93.8	Very high	119 Å²	119	49.4 Å²	49.4	77%	0.773	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-56.1	-31.9	-178.6	-27.5	35.7	0	0	0	114.8	M700 L701	P698-M700 PolarHBondContact O-N 3.29Å; P698-L701 WeakPolarHBondContact O-CB 3.48Å; P698-L701 PolarHBondContact O-N 2.9Å
699	C	93.4	Very high	93.9	Very high	81 Å²	81	51.2 Å²	51.2	55%	0.547	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-68.1	-10.9	176.6	53.6	0	0	0	0	114.8	A630 K697 L701	A630-C699 VanDerWaalsContact CB-SG 3.57Å; K697-C699 PolarHBondContact O-N 3.21Å; K697-C699 VanDerWaalsContact O-N 3.14Å; C699-L701 VanDerWaalsContact C-N 3.3Å
700	M	94.5	Very high	93.8	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-84.5	-2.8	175.3	-57	-176	70	0	0	113.2	L627 A630 Y675 L695 F696 K697 P698 P702	L627-M700 HydrophobicContact CD1-CE 3.8Å; L627-M700 HydrophobicContact CG-CE 4.16Å; L627-M700 WeakPolarHBondContact O-CE 3.49Å; A630-M700 HydrophobicContact CB-CG 3.61Å; A630-M700 HydrophobicContact CB-SD 3.94Å; Y675-M700 HydrophobicContact CD1-CB 4.12Å; Y675-M700 HydrophobicContact CD1-CE 4.04Å; Y675-M700 HydrophobicContact CD1-CG 3.87Å; Y675-M700 HydrophobicContact CE1-CB 4Å; Y675-M700 HydrophobicContact CE1-CE 4.01Å; Y675-M700 HydrophobicContact CE1-CG 4.21Å; Y675-M700 HydrophobicContact CG-CE 4.38Å; L695-M700 HydrophobicContact CD1-CB 4.19Å; F696-M700 HydrophobicContact CB-SD 3.85Å; F696-M700 HydrophobicContact CD2-CE 3.82Å; F696-M700 HydrophobicContact CD2-SD 3.74Å; F696-M700 HydrophobicContact CE2-CE 4.37Å; F696-M700 HydrophobicContact CG-SD 4.22Å; K697-M700 HydrophobicContact CB-CG 4.5Å; K697-M700 WeakPolarHBondContact O-CB 3.23Å; K697-M700 PolarHBondContact O-N 3.37Å; P698-M700 PolarHBondContact O-N 3.29Å; M700-P702 WeakPolarHBondContact O-CD 3.11Å
701	L	95	Very high	93.8	Very high	48 Å²	48	46 Å²	46	25%	0.251	28%	0.283	S	S	.	.	S	Bend	trans	-61.2	126	178.2	-174.7	67.6	0	0	0	110.5	P677 L695 P698 C699 I703 C705 H707 V747	P677-L701 WeakPolarHBondContact CB-O 3.45Å; L695-L701 HydrophobicContact CD1-CB 4.01Å; L695-L701 HydrophobicContact CD1-CD1 4.33Å; L695-L701 HydrophobicContact CD2-CD1 4.43Å; P698-L701 WeakPolarHBondContact O-CB 3.48Å; P698-L701 PolarHBondContact O-N 2.9Å; C699-L701 VanDerWaalsContact C-N 3.3Å; L701-I703 PolarHBondContact O-N 2.95Å; L701-C705 HydrophobicContact CD1-CB 4.32Å; L701-H707 HydrophobicContact CD1-CB 4.06Å; L701-V747 HydrophobicContact CD1-CG1 4.02Å; L701-V747 HydrophobicContact CD1-CG2 4.4Å
702	P	95.9	Very high	93.7	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.026	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54	135.9	176.7	-29.2	36.8	0	0	0	112.5	P678 P686 V693 M700 G704 C705	P678-P702 HydrophobicContact CG-CB 4.31Å; P678-P702 HydrophobicContact CG-CG 4.3Å; P678-P702 CarbonylContact O-C 3.54Å; P678-P702 WeakPolarHBondContact O-CA 3.25Å; P678-P702 WeakPolarHBondContact O-CB 3.26Å; P686-P702 HydrophobicContact CG-CB 4.18Å; V693-P702 HydrophobicContact CG1-CG 4.15Å; M700-P702 WeakPolarHBondContact O-CD 3.11Å; P702-G704 PolarHBondContact O-N 3.47Å; P702-C705 HydrophobicContact CB-CB 4.22Å; P702-C705 WeakPolarHBondContact O-CB 3.38Å; P702-C705 PolarHBondContact O-N 3.33Å
703	I	94.6	Very high	93.5	Very high	89 Å²	89	44.5 Å²	44.5	46%	0.456	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-66.7	121.6	-175.6	-55.1	174.1	0	0	0	108.4	P677 P678 K679 A680 L701	P677-I703 HydrophobicContact CB-CG1 4.45Å; P677-I703 HydrophobicContact CG-CD1 4.25Å; P677-I703 HydrophobicContact CG-CG1 3.9Å; P678-I703 PolarHBondContact O-N 3.01Å; K679-I703 HydrophobicContact CG-CB 4.09Å; K679-I703 HydrophobicContact CG-CD1 4.15Å; K679-I703 HydrophobicContact CG-CG2 4.5Å; A680-I703 PolarHBondContact N-O 2.94Å; L701-I703 PolarHBondContact O-N 2.95Å
704	G	93.5	Very high	93.4	Very high	42 Å²	42	45.5 Å²	45.5	43%	0.433	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-1.4	-172.8	0	0	0	0	0	114.6	P702 K750	P702-G704 PolarHBondContact O-N 3.47Å; G704-K750 WeakPolarHBondContact O-CB 3.42Å; G704-K750 PolarHBondContact O-N 2.75Å
705	C	95.7	Very high	93.3	Very high	11 Å²	11	48.3 Å²	48.3	7%	0.074	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	169.8	171.9	-71.4	0	0	0	0	113.4	L701 P702 V747 V748	L701-C705 HydrophobicContact CD1-CB 4.32Å; P702-C705 HydrophobicContact CB-CB 4.22Å; P702-C705 WeakPolarHBondContact O-CB 3.38Å; P702-C705 PolarHBondContact O-N 3.33Å; C705-V747 HydrophobicContact CB-CG1 3.58Å; C705-V748 CarbonylContact C-O 3.58Å; C705-V748 VanDerWaalsContact CA-O 3.31Å; C705-V748 WeakPolarHBondContact CA-O 3.43Å; C705-V748 WeakPolarHBondContact CB-O 3.48Å
706	A	94.7	Very high	93.3	Very high	23 Å²	23	48.2 Å²	48.2	19%	0.19	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.6	166.2	0	0	0	0	0	110	V747 V748 V753	A706-V747 WeakPolarHBondContact O-CA 3.44Å; A706-V748 PolarHBondContact N-O 3.28Å; A706-V748 PolarHBondContact O-N 3.07Å; A706-V753 HydrophobicContact CB-CG2 3.67Å
707	H	95.8	Very high	93.3	Very high	67 Å²	67	46.3 Å²	46.3	31%	0.31	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122	176.6	179	-135.6	0	0	0	110.2	L695 L701 C709 A727 K744	L695-H707 HydrophobicContact CD2-CB 4.11Å; L701-H707 HydrophobicContact CD1-CB 4.06Å; H707-C709 PolarHBondContact CE1-SG 3.16Å; H707-A727 WeakPolarHBondContact NE2-CB 3.39Å; H707-K744 PolarHBondContact CE1-O 3.12Å; H707-K744 PolarHBondContact NE2-O 3.33Å
708	L	93.7	Very high	93.4	Very high	17 Å²	17	50.1 Å²	50.1	9%	0.089	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	107.3	-174.8	-60.5	179.1	0	0	0	110.4	L710 I713 G745 Y746 V748 V753 L756 I757	L708-L710 PolarHBondContact O-N 2.83Å; L708-I713 HydrophobicContact CD1-CG1 4.38Å; L708-G745 CarbonylContact O-C 3.6Å; L708-G745 VanDerWaalsContact O-CA 3.24Å; L708-G745 WeakPolarHBondContact O-CA 3.47Å; L708-Y746 PolarHBondContact N-O 2.73Å; L708-Y746 PolarHBondContact O-N 2.83Å; L708-V748 HydrophobicContact CD1-CB 4.4Å; L708-V748 HydrophobicContact CD1-CG2 4.3Å; L708-V753 HydrophobicContact CD2-CG1 4.33Å; L708-L756 HydrophobicContact CD1-CD2 3.9Å; L708-I757 HydrophobicContact CD2-CD1 4.3Å
709	C	93	Very high	93.4	Very high	78 Å²	78	50.9 Å²	50.9	53%	0.527	28%	0.281	S	S	.	.			trans	-84.5	32.3	174.9	-71.1	0	0	0	0	113.4	H707	H707-C709 PolarHBondContact CE1-SG 3.16Å
710	L	90.3	Very high	93.4	Very high	51 Å²	51	50.8 Å²	50.8	27%	0.267	28%	0.275	S	S	.	.			trans	-88.6	130.1	-178.5	-64.1	178.1	0	0	0	111.6	L708 I713 I757 W760	L708-L710 PolarHBondContact O-N 2.83Å; L710-I713 HydrophobicContact CB-CB 4.04Å; L710-I713 HydrophobicContact CB-CD1 4.21Å; L710-I713 HydrophobicContact CB-CG1 4.31Å; L710-I713 HydrophobicContact CD1-CD1 3.99Å; L710-I713 WeakPolarHBondContact O-CB 3.31Å; L710-I713 WeakPolarHBondContact O-CG2 3.34Å; L710-I757 HydrophobicContact CD1-CG1 4.33Å; L710-W760 HydrophobicContact CB-CZ2 4.46Å; L710-W760 HydrophobicContact CD1-CD2 4.12Å; L710-W760 HydrophobicContact CD1-CE3 4.3Å; L710-W760 HydrophobicContact CD1-CG 4.38Å; L710-W760 HydrophobicContact CD2-CH2 4.15Å; L710-W760 HydrophobicContact CD2-CZ2 4.16Å; L710-W760 HydrophobicContact CD2-CZ3 4.44Å
711	S	89.7	Confident	93.3	Very high	105 Å²	105	54.1 Å²	54.1	73%	0.734	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	138.2	176.4	-169.6	0	0	0	0	111.1	I713 W760	S711-I713 PolarHBondContact O-N 3.48Å; S711-W760 PolarHBondContact O-NE1 2.69Å
712	G	89.8	Confident	93.3	Very high	23 Å²	23	53.3 Å²	53.3	24%	0.237	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	-0.4	178	0	0	0	0	0	116.3	Q714 Y715	G712-Q714 VanDerWaalsContact CA-OE1 3.26Å; G712-Q714 PolarHBondContact O-N 2.87Å; G712-Q714 VanDerWaalsContact O-N 3.08Å; G712-Q714 PolarHBondContact O-OE1 3.26Å; G712-Y715 WeakPolarHBondContact O-CD2 3.33Å; G712-Y715 PolarHBondContact O-N 3.23Å
713	I	92.2	Very high	93.2	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-56.7	-31	-174.5	-159	65.4	0	0	0	113.3	L708 L710 S711 Y715 I716 A717 Y746 L756 W760	L708-I713 HydrophobicContact CD1-CG1 4.38Å; L710-I713 HydrophobicContact CB-CB 4.04Å; L710-I713 HydrophobicContact CB-CD1 4.21Å; L710-I713 HydrophobicContact CB-CG1 4.31Å; L710-I713 HydrophobicContact CD1-CD1 3.99Å; L710-I713 WeakPolarHBondContact O-CB 3.31Å; L710-I713 WeakPolarHBondContact O-CG2 3.34Å; S711-I713 PolarHBondContact O-N 3.48Å; I713-Y715 VanDerWaalsContact C-N 3.28Å; I713-Y715 PolarHBondContact O-N 3.06Å; I713-I716 PolarHBondContact O-N 3.44Å; I713-A717 PolarHBondContact O-N 3.16Å; I713-Y746 HydrophobicContact CG2-CD2 3.59Å; I713-Y746 HydrophobicContact CG2-CE2 4.47Å; I713-Y746 HydrophobicContact CG2-CG 4.03Å; I713-L756 HydrophobicContact CD1-CD1 3.95Å; I713-L756 HydrophobicContact CD1-CD2 4.4Å; I713-L756 HydrophobicContact CD1-CG 3.82Å; I713-L756 HydrophobicContact CG1-CD1 4.16Å; I713-L756 HydrophobicContact CG1-CD2 4.02Å; I713-L756 HydrophobicContact CG1-CG 3.99Å; I713-W760 HydrophobicContact CD1-CB 3.66Å; I713-W760 HydrophobicContact CD1-CG 3.71Å
714	Q	91.9	Very high	93.1	Very high	28 Å²	28	52.3 Å²	52.3	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-73.3	-13.6	179.2	79.1	-77.7	55.5	0	0	114.2	G712 R718 Y746	G712-Q714 VanDerWaalsContact CA-OE1 3.26Å; G712-Q714 PolarHBondContact O-N 2.87Å; G712-Q714 VanDerWaalsContact O-N 3.08Å; G712-Q714 PolarHBondContact O-OE1 3.26Å; Q714-R718 VanDerWaalsContact O-CZ 3.28Å; Q714-R718 PolarHBondContact O-NE 3.38Å; Q714-R718 PolarHBondContact O-NH2 3.02Å; Q714-R718 VanDerWaalsContact O-NH2 3.13Å; Q714-Y746 HydrophobicContact CB-CD1 3.9Å; Q714-Y746 HydrophobicContact CB-CD2 4.18Å; Q714-Y746 HydrophobicContact CB-CE1 3.49Å; Q714-Y746 VanDerWaalsContact CB-CE1 3.49Å; Q714-Y746 HydrophobicContact CB-CE2 3.82Å; Q714-Y746 HydrophobicContact CB-CG 4.26Å; Q714-Y746 HydrophobicContact CG-CE1 3.93Å; Q714-Y746 HydrophobicContact CG-CE2 3.92Å; Q714-Y746 WeakPolarHBondContact CG-OH 3.36Å; Q714-Y746 PolarHBondContact NE2-OH 3.42Å
715	Y	92.8	Very high	93.2	Very high	102 Å²	102	50.3 Å²	50.3	40%	0.4	28%	0.281	S	S	.	.	H	α-helix	trans	-80.2	-39.4	169.8	-57.9	-77.4	0	0	0	110.5	R130 G712 I713 K719	R130-Y715 VanDerWaalsContact NH1-CE1 3.33Å; R130-Y715 VanDerWaalsContact NH1-CZ 3.28Å; R130-Y715 PolarHBondContact NH1-OH 3.4Å; G712-Y715 WeakPolarHBondContact O-CD2 3.33Å; G712-Y715 PolarHBondContact O-N 3.23Å; I713-Y715 VanDerWaalsContact C-N 3.28Å; I713-Y715 PolarHBondContact O-N 3.06Å; Y715-K719 WeakPolarHBondContact O-CB 3.31Å; Y715-K719 PolarHBondContact O-N 3.37Å
716	I	93.3	Very high	93.2	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.046	29%	0.291	C	S	.	.	H	α-helix	trans	-73.6	-41.5	178.2	-63.3	134	0	0	0	111.4	I713 R718 K719 L720 L756 A759 W760 E763	I713-I716 PolarHBondContact O-N 3.44Å; I716-R718 VanDerWaalsContact C-N 3.32Å; I716-R718 PolarHBondContact O-N 2.95Å; I716-K719 WeakPolarHBondContact O-CA 3.45Å; I716-K719 WeakPolarHBondContact O-CB 3.16Å; I716-K719 PolarHBondContact O-N 3.46Å; I716-L720 HydrophobicContact CG2-CD1 4.04Å; I716-L720 HydrophobicContact CG2-CG 4.43Å; I716-L720 WeakPolarHBondContact O-CG 3.33Å; I716-L720 PolarHBondContact O-N 3.39Å; I716-L756 HydrophobicContact CB-CD1 4.26Å; I716-L756 HydrophobicContact CG2-CD1 3.88Å; I716-A759 HydrophobicContact CG2-CB 3.58Å; I716-W760 HydrophobicContact CD1-CB 4.03Å; I716-W760 VanDerWaalsContact CD1-CD1 3.47Å; I716-W760 HydrophobicContact CD1-CG 4.07Å; I716-E763 HydrophobicContact CD1-CB 4.1Å; I716-E763 HydrophobicContact CD1-CG 4.36Å; I716-E763 HydrophobicContact CG1-CB 4.21Å; I716-E763 HydrophobicContact CG1-CG 4.26Å
717	A	94	Very high	93.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-54.8	-47	174	0	0	0	0	0	111.9	I713 K719 L720 G721 I722 C724 L756	I713-A717 PolarHBondContact O-N 3.16Å; A717-K719 PolarHBondContact O-N 3.32Å; A717-L720 CarbonylContact O-C 3.59Å; A717-L720 PolarHBondContact O-N 2.97Å; A717-G721 PolarHBondContact O-N 2.93Å; A717-I722 HydrophobicContact CB-CB 4.46Å; A717-I722 PolarHBondContact O-N 3.45Å; A717-C724 HydrophobicContact CB-CB 4.08Å; A717-L756 HydrophobicContact CB-CD1 3.91Å; A717-L756 HydrophobicContact CB-CD2 4.26Å
718	R	94.1	Very high	93.2	Very high	152 Å²	152	48.7 Å²	48.7	57%	0.574	27%	0.269	S	S	*	.	H	α-helix	trans	-70	-26.4	174.9	-71.6	179.9	-63.8	-152.6	-3.5	114.4	Q714 I716 L720	Q714-R718 VanDerWaalsContact O-CZ 3.28Å; Q714-R718 PolarHBondContact O-NE 3.38Å; Q714-R718 PolarHBondContact O-NH2 3.02Å; Q714-R718 VanDerWaalsContact O-NH2 3.13Å; I716-R718 VanDerWaalsContact C-N 3.32Å; I716-R718 PolarHBondContact O-N 2.95Å; R718-L720 VanDerWaalsContact C-N 3.3Å
719	K	93.2	Very high	93.2	Very high	135 Å²	135	50.2 Å²	50.2	59%	0.587	28%	0.279	S	S	*	.	H	α-helix	trans	-69.5	-29.6	172.3	-172.3	-180	-178.4	178.5	0	111.4	Y715 I716 A717 E763	Y715-K719 WeakPolarHBondContact O-CB 3.31Å; Y715-K719 PolarHBondContact O-N 3.37Å; I716-K719 WeakPolarHBondContact O-CA 3.45Å; I716-K719 WeakPolarHBondContact O-CB 3.16Å; I716-K719 PolarHBondContact O-N 3.46Å; A717-K719 PolarHBondContact O-N 3.32Å; K719-E763 IonicContact NZ-OE1 2.59Å; K719-E763 PolarHBondContact NZ-OE1 2.88Å; K719-E763 IonicContact NZ-OE2 3.76Å; K719-E763 PolarHBondContact NZ-OE2 3.26Å
720	L	93.5	Very high	93.1	Very high	79 Å²	79	47.2 Å²	47.2	41%	0.414	26%	0.261	S	S	.	.	H	α-helix	trans	-94.1	-15.3	177.3	-64	173.8	0	0	0	114.3	I716 A717 R718 I722 V755 L756 A759	I716-L720 HydrophobicContact CG2-CD1 4.04Å; I716-L720 HydrophobicContact CG2-CG 4.43Å; I716-L720 WeakPolarHBondContact O-CG 3.33Å; I716-L720 PolarHBondContact O-N 3.39Å; A717-L720 CarbonylContact O-C 3.59Å; A717-L720 PolarHBondContact O-N 2.97Å; R718-L720 VanDerWaalsContact C-N 3.3Å; L720-I722 HydrophobicContact CB-CD1 3.85Å; L720-I722 HydrophobicContact CB-CG1 3.93Å; L720-I722 HydrophobicContact CD1-CD1 3.63Å; L720-I722 HydrophobicContact CG-CD1 4.42Å; L720-V755 HydrophobicContact CD1-CG1 4.38Å; L720-L756 HydrophobicContact CD1-CD1 4.25Å; L720-A759 HydrophobicContact CD1-CB 3.7Å; L720-A759 HydrophobicContact CD2-CB 4.46Å; L720-A759 HydrophobicContact CG-CB 4.47Å
721	G	93.1	Very high	93.1	Very high	70 Å²	70	49 Å²	49	72%	0.722	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	15.4	-173.6	0	0	0	0	0	114.7	A717	A717-G721 PolarHBondContact O-N 2.93Å
722	I	93.9	Very high	93.1	Very high	31 Å²	31	46.7 Å²	46.7	16%	0.159	25%	0.246	C	C	.	.			trans	-79.1	136.8	178	-63.8	169.4	0	0	0	109.7	A717 L720 V748 S752 L756	A717-I722 HydrophobicContact CB-CB 4.46Å; A717-I722 PolarHBondContact O-N 3.45Å; L720-I722 HydrophobicContact CB-CD1 3.85Å; L720-I722 HydrophobicContact CB-CG1 3.93Å; L720-I722 HydrophobicContact CD1-CD1 3.63Å; L720-I722 HydrophobicContact CG-CD1 4.42Å; I722-V748 HydrophobicContact CG2-CG1 3.93Å; I722-S752 WeakPolarHBondContact CG2-OG 3.39Å; I722-L756 HydrophobicContact CD1-CB 4.07Å
723	D	94.2	Very high	92.8	Very high	51 Å²	51	52 Å²	52	27%	0.273	26%	0.262	S	S	.	.			trans	-72.2	131.7	176.5	-163.5	51.6	0	0	0	111.8	V685 R687	V685-D723 PolarHBondContact N-OD2 3.01Å; R687-D723 IonicContact CZ-OD1 3.9Å; R687-D723 IonicContact CZ-OD2 3.71Å; R687-D723 IonicContact NE-OD2 3.74Å; R687-D723 IonicContact NH2-OD1 2.75Å; R687-D723 PolarHBondContact NH2-OD1 2.87Å; R687-D723 IonicContact NH2-OD2 2.83Å; R687-D723 PolarHBondContact NH2-OD2 3.35Å
724	C	93.3	Very high	92.2	Very high	21 Å²	21	56.8 Å²	56.8	14%	0.142	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.9	176.4	67.3	0	0	0	0	111.1	R687 A717 Y746 V747 V748	R687-C724 PolarHBondContact NH2-O 3.23Å; A717-C724 HydrophobicContact CB-CB 4.08Å; C724-Y746 HydrophobicContact CB-CD1 4.36Å; C724-V747 WeakPolarHBondContact CA-O 3.46Å; C724-V748 HydrophobicContact CB-CG2 3.83Å
725	A	95	Very high	91.1	Very high	1 Å²	1	60 Å²	60	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.1	176.8	0	0	0	0	0	111.1	V685 R687 V693 Y746 V747	V685-A725 HydrophobicContact CB-CB 4.23Å; V685-A725 HydrophobicContact CG1-CB 3.87Å; R687-A725 HydrophobicContact CG-CB 4.07Å; V693-A725 HydrophobicContact CG2-CB 3.77Å; A725-Y746 CarbonylContact O-C 3.54Å; A725-Y746 VanDerWaalsContact O-CA 3.29Å; A725-Y746 WeakPolarHBondContact O-CA 3.44Å; A725-Y746 WeakPolarHBondContact O-CD1 3.29Å; A725-V747 PolarHBondContact N-O 3.47Å; A725-V747 PolarHBondContact O-N 2.83Å
726	E	95.7	Very high	90.1	Very high	62 Å²	62	59 Å²	59	29%	0.29	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130	179.2	-75.9	178.7	168.7	0	0	111	N692 V693 V728 I743 Y746	N692-E726 HydrophobicContact CB-CB 4.43Å; N692-E726 WeakPolarHBondContact CB-O 3.46Å; V693-E726 PolarHBondContact N-O 2.94Å; E726-V728 PolarHBondContact O-N 3.01Å; E726-I743 HydrophobicContact CB-CG1 4.49Å; E726-I743 HydrophobicContact CB-CG2 3.85Å; E726-I743 HydrophobicContact CG-CG2 4.07Å; E726-I743 WeakPolarHBondContact OE2-CD1 3.45Å; E726-Y746 HydrophobicContact CB-CE1 4.33Å; E726-Y746 HydrophobicContact CG-CD1 3.94Å; E726-Y746 HydrophobicContact CG-CE1 3.18Å; E726-Y746 PolarHBondContact OE1-OH 3.24Å
727	A	95.7	Very high	88.9	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	106.7	177.9	0	0	0	0	0	110.5	L695 H707 I743 K744 G745 V747	L695-A727 HydrophobicContact CB-CB 4.4Å; L695-A727 HydrophobicContact CD2-CB 4Å; H707-A727 WeakPolarHBondContact NE2-CB 3.39Å; A727-I743 CarbonylContact O-C 3.5Å; A727-I743 VanDerWaalsContact O-CA 3.31Å; A727-I743 WeakPolarHBondContact O-CA 3.38Å; A727-K744 PolarHBondContact O-N 3.33Å; A727-G745 PolarHBondContact N-O 2.98Å; A727-G745 VanDerWaalsContact N-O 3.16Å; A727-V747 HydrophobicContact CB-CG2 4.02Å
728	V	95.2	Very high	88	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.024	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	108.7	174.1	-179.9	0	0	0	0	108.4	N692 V693 L695 E726 P741 I743	N692-V728 HydrophobicContact CB-CG2 4.04Å; V693-V728 PolarHBondContact O-N 3.43Å; L695-V728 PolarHBondContact N-O 2.93Å; E726-V728 PolarHBondContact O-N 3.01Å; V728-P741 HydrophobicContact CG1-CB 3.77Å; V728-P741 HydrophobicContact CG2-CB 4.16Å; V728-I743 HydrophobicContact CG2-CG1 4.16Å
729	V	93.1	Very high	87.5	Confident	50 Å²	50	65.2 Å²	65.2	30%	0.303	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-18.9	-175.4	-179	0	0	0	0	112	N742 K744	V729-N742 PolarHBondContact N-O 3.41Å; V729-K744 HydrophobicContact CB-CB 4.42Å; V729-K744 HydrophobicContact CG2-CB 3.9Å
730	G	91.8	Very high	87.3	Confident	14 Å²	14	62.8 Å²	62.8	14%	0.144	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	-166.2	-179	0	0	0	0	0	112.9	N742	G730-N742 PolarHBondContact O-N 2.86Å
731	W	90.5	Very high	87.2	Confident	90 Å²	90	61.5 Å²	61.5	34%	0.341	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	126.9	178	-70.7	78.6	0	0	0	110.9	F733 A739 H740 P741	W731-F733 HydrophobicContact CB-CE2 4.03Å; W731-F733 HydrophobicContact CB-CZ 4.24Å; W731-A739 HydrophobicContact CE3-CB 3.91Å; W731-A739 HydrophobicContact CZ3-CB 4.34Å; W731-H740 CarbonylContact C-O 3.59Å; W731-H740 VanDerWaalsContact CA-O 3.28Å; W731-H740 WeakPolarHBondContact CA-O 3.45Å; W731-P741 HydrophobicContact CD2-CB 4.41Å; W731-P741 HydrophobicContact CE3-CB 4.32Å; W731-P741 HydrophobicContact CH2-CB 4.29Å; W731-P741 HydrophobicContact CZ2-CB 4.36Å; W731-P741 HydrophobicContact CZ3-CB 4.26Å
732	T	89.6	Confident	87.2	Confident	56 Å²	56	60.1 Å²	60.1	34%	0.344	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.6	172.2	29.8	0	0	0	0	111	A739 H740 N742	T732-A739 CarbonylContact O-C 3.59Å; T732-A739 WeakPolarHBondContact O-CA 3.46Å; T732-H740 PolarHBondContact N-O 3.33Å; T732-H740 PolarHBondContact O-N 2.87Å; T732-H740 PolarHBondContact OG1-O 2.78Å; T732-N742 WeakPolarHBondContact CB-OD1 3.29Å; T732-N742 VanDerWaalsContact CG2-OD1 3.31Å; T732-N742 WeakPolarHBondContact CG2-OD1 3.25Å; T732-N742 PolarHBondContact N-OD1 2.97Å; T732-N742 PolarHBondContact OG1-OD1 3.12Å
733	F	82.7	Confident	87.2	Confident	133 Å²	133	62.2 Å²	62.2	58%	0.583	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	108.6	177.6	-62.8	-91.5	0	0	0	109.7	W731 A739	W731-F733 HydrophobicContact CB-CE2 4.03Å; W731-F733 HydrophobicContact CB-CZ 4.24Å; F733-A739 HydrophobicContact CD1-CB 3.65Å; F733-A739 HydrophobicContact CE1-CB 3.46Å; F733-A739 VanDerWaalsContact CE1-CB 3.46Å; F733-A739 HydrophobicContact CZ-CB 4.22Å
734	H	79.5	Confident	87.1	Confident	103 Å²	103	66 Å²	66	48%	0.477	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	152.2	176.4	-62	-36.6	0	0	0	111.1	S736 G737 W738 H740	H734-S736 PolarHBondContact O-N 2.81Å; H734-G737 PolarHBondContact O-N 2.85Å; H734-W738 PolarHBondContact N-O 2.86Å; H734-W738 VanDerWaalsContact N-O 3.12Å; H734-H740 AromaticContact CD2-CD2 3.45Å; H734-H740 PolarHBondContact CD2-CD2 3.13Å; H734-H740 VanDerWaalsContact CD2-CD2 3.45Å; H734-H740 AromaticContact CD2-NE2 3.71Å; H734-H740 AromaticContact NE2-CD2 3.84Å
735	G	69.3	Low	87.1	Confident	96 Å²	96	65.7 Å²	65.7	99%	0.99	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-10.7	-179.1	0	0	0	0	0	115.7	G737	G735-G737 PolarHBondContact O-N 3.49Å
736	S	71.6	Confident	87.1	Confident	82 Å²	82	66.8 Å²	66.8	57%	0.573	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.1	168.2	58.2	0	0	0	0	114.2	H734	H734-S736 PolarHBondContact O-N 2.81Å
737	G	67.6	Low	87.1	Confident	66 Å²	66	63.9 Å²	63.9	68%	0.68	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	15.8	178.9	0	0	0	0	0	115	H734 G735	H734-G737 PolarHBondContact O-N 2.85Å; G735-G737 PolarHBondContact O-N 3.49Å
738	W	75.3	Confident	87.1	Confident	183 Å²	183	63.9 Å²	63.9	69%	0.693	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	142.9	176.4	-65.2	83.9	0	0	0	111	H734	H734-W738 PolarHBondContact N-O 2.86Å; H734-W738 VanDerWaalsContact N-O 3.12Å
739	A	84.7	Confident	87.1	Confident	42 Å²	42	63.9 Å²	63.9	35%	0.347	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.4	176.3	0	0	0	0	0	109.6	W731 T732 F733	W731-A739 HydrophobicContact CE3-CB 3.91Å; W731-A739 HydrophobicContact CZ3-CB 4.34Å; T732-A739 CarbonylContact O-C 3.59Å; T732-A739 WeakPolarHBondContact O-CA 3.46Å; F733-A739 HydrophobicContact CD1-CB 3.65Å; F733-A739 HydrophobicContact CE1-CB 3.46Å; F733-A739 VanDerWaalsContact CE1-CB 3.46Å; F733-A739 HydrophobicContact CZ-CB 4.22Å
740	H	88.6	Confident	87.2	Confident	84 Å²	84	68.6 Å²	68.6	39%	0.389	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.2	179	-64.8	-90.8	0	0	0	109.4	W731 T732 H734 N742	W731-H740 CarbonylContact C-O 3.59Å; W731-H740 VanDerWaalsContact CA-O 3.28Å; W731-H740 WeakPolarHBondContact CA-O 3.45Å; T732-H740 PolarHBondContact N-O 3.33Å; T732-H740 PolarHBondContact O-N 2.87Å; T732-H740 PolarHBondContact OG1-O 2.78Å; H734-H740 AromaticContact CD2-CD2 3.45Å; H734-H740 PolarHBondContact CD2-CD2 3.13Å; H734-H740 VanDerWaalsContact CD2-CD2 3.45Å; H734-H740 AromaticContact CD2-NE2 3.71Å; H734-H740 AromaticContact NE2-CD2 3.84Å; H740-N742 PolarHBondContact O-N 3.46Å
741	P	92	Very high	87.3	Confident	53 Å²	53	74.6 Å²	74.6	34%	0.344	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.4	177.8	28.6	-33.3	0	0	0	110.6	V728 W731 I743	V728-P741 HydrophobicContact CG1-CB 3.77Å; V728-P741 HydrophobicContact CG2-CB 4.16Å; W731-P741 HydrophobicContact CD2-CB 4.41Å; W731-P741 HydrophobicContact CE3-CB 4.32Å; W731-P741 HydrophobicContact CH2-CB 4.29Å; W731-P741 HydrophobicContact CZ2-CB 4.36Å; W731-P741 HydrophobicContact CZ3-CB 4.26Å; P741-I743 PolarHBondContact O-N 2.74Å; P741-I743 VanDerWaalsContact O-N 3.15Å
742	N	92.5	Very high	87.4	Confident	40 Å²	40	71.3 Å²	71.3	21%	0.214	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	96.8	174	-64.7	-1.3	0	0	0	108.3	V729 G730 T732 H740	V729-N742 PolarHBondContact N-O 3.41Å; G730-N742 PolarHBondContact O-N 2.86Å; T732-N742 WeakPolarHBondContact CB-OD1 3.29Å; T732-N742 VanDerWaalsContact CG2-OD1 3.31Å; T732-N742 WeakPolarHBondContact CG2-OD1 3.25Å; T732-N742 PolarHBondContact N-OD1 2.97Å; T732-N742 PolarHBondContact OG1-OD1 3.12Å; H740-N742 PolarHBondContact O-N 3.46Å
743	I	93.2	Very high	87.6	Confident	75 Å²	75	69.7 Å²	69.7	39%	0.385	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.7	177.1	-62.9	156.3	0	0	0	109	E726 A727 V728 P741	E726-I743 HydrophobicContact CB-CG1 4.49Å; E726-I743 HydrophobicContact CB-CG2 3.85Å; E726-I743 HydrophobicContact CG-CG2 4.07Å; E726-I743 WeakPolarHBondContact OE2-CD1 3.45Å; A727-I743 CarbonylContact O-C 3.5Å; A727-I743 VanDerWaalsContact O-CA 3.31Å; A727-I743 WeakPolarHBondContact O-CA 3.38Å; V728-I743 HydrophobicContact CG2-CG1 4.16Å; P741-I743 PolarHBondContact O-N 2.74Å; P741-I743 VanDerWaalsContact O-N 3.15Å
744	K	92.6	Very high	88.2	Confident	130 Å²	130	66.8 Å²	66.8	57%	0.565	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	96.4	-179.5	-174.5	-179.9	-177.9	178	0	109.6	H707 A727 V729	H707-K744 PolarHBondContact CE1-O 3.12Å; H707-K744 PolarHBondContact NE2-O 3.33Å; A727-K744 PolarHBondContact O-N 3.33Å; V729-K744 HydrophobicContact CB-CB 4.42Å; V729-K744 HydrophobicContact CG2-CB 3.9Å
745	G	93.3	Very high	88.9	Confident	16 Å²	16	65.9 Å²	65.9	17%	0.165	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.5	-173.6	-178.5	0	0	0	0	0	114.5	L708 A727	L708-G745 CarbonylContact O-C 3.6Å; L708-G745 VanDerWaalsContact O-CA 3.24Å; L708-G745 WeakPolarHBondContact O-CA 3.47Å; A727-G745 PolarHBondContact N-O 2.98Å; A727-G745 VanDerWaalsContact N-O 3.16Å
746	Y	95.1	Very high	90.1	Very high	24 Å²	24	61.4 Å²	61.4	9%	0.094	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.5	-175.3	-73.4	-95.7	0	0	0	111.1	L708 I713 Q714 C724 A725 E726	L708-Y746 PolarHBondContact N-O 2.73Å; L708-Y746 PolarHBondContact O-N 2.83Å; I713-Y746 HydrophobicContact CG2-CD2 3.59Å; I713-Y746 HydrophobicContact CG2-CE2 4.47Å; I713-Y746 HydrophobicContact CG2-CG 4.03Å; Q714-Y746 HydrophobicContact CB-CD1 3.9Å; Q714-Y746 HydrophobicContact CB-CD2 4.18Å; Q714-Y746 HydrophobicContact CB-CE1 3.49Å; Q714-Y746 VanDerWaalsContact CB-CE1 3.49Å; Q714-Y746 HydrophobicContact CB-CE2 3.82Å; Q714-Y746 HydrophobicContact CB-CG 4.26Å; Q714-Y746 HydrophobicContact CG-CE1 3.93Å; Q714-Y746 HydrophobicContact CG-CE2 3.92Å; Q714-Y746 WeakPolarHBondContact CG-OH 3.36Å; Q714-Y746 PolarHBondContact NE2-OH 3.42Å; C724-Y746 HydrophobicContact CB-CD1 4.36Å; A725-Y746 CarbonylContact O-C 3.54Å; A725-Y746 VanDerWaalsContact O-CA 3.29Å; A725-Y746 WeakPolarHBondContact O-CA 3.44Å; A725-Y746 WeakPolarHBondContact O-CD1 3.29Å; E726-Y746 HydrophobicContact CB-CE1 4.33Å; E726-Y746 HydrophobicContact CG-CD1 3.94Å; E726-Y746 HydrophobicContact CG-CE1 3.18Å; E726-Y746 PolarHBondContact OE1-OH 3.24Å
747	V	95.8	Very high	91.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135	171.1	-175.3	0	0	0	0	109	V685 V693 L695 L701 C705 A706 C724 A725 A727	V685-V747 HydrophobicContact CG1-CB 4.08Å; V685-V747 HydrophobicContact CG1-CG1 3.71Å; V693-V747 HydrophobicContact CB-CG2 3.93Å; V693-V747 HydrophobicContact CG1-CG2 4.12Å; V693-V747 HydrophobicContact CG2-CB 4.04Å; V693-V747 HydrophobicContact CG2-CG1 4.38Å; V693-V747 HydrophobicContact CG2-CG2 4.02Å; L695-V747 HydrophobicContact CD2-CG2 4.2Å; L701-V747 HydrophobicContact CD1-CG1 4.02Å; L701-V747 HydrophobicContact CD1-CG2 4.4Å; C705-V747 HydrophobicContact CB-CG1 3.58Å; A706-V747 WeakPolarHBondContact O-CA 3.44Å; C724-V747 WeakPolarHBondContact CA-O 3.46Å; A725-V747 PolarHBondContact N-O 3.47Å; A725-V747 PolarHBondContact O-N 2.83Å; A727-V747 HydrophobicContact CB-CG2 4.02Å
748	V	95.2	Very high	92.5	Very high	1 Å²	1	60 Å²	60	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	145.7	-173.5	175.6	0	0	0	0	109.7	C705 A706 L708 I722 C724 S752 L756	C705-V748 CarbonylContact C-O 3.58Å; C705-V748 VanDerWaalsContact CA-O 3.31Å; C705-V748 WeakPolarHBondContact CA-O 3.43Å; C705-V748 WeakPolarHBondContact CB-O 3.48Å; A706-V748 PolarHBondContact N-O 3.28Å; A706-V748 PolarHBondContact O-N 3.07Å; L708-V748 HydrophobicContact CD1-CB 4.4Å; L708-V748 HydrophobicContact CD1-CG2 4.3Å; I722-V748 HydrophobicContact CG2-CG1 3.93Å; C724-V748 HydrophobicContact CB-CG2 3.83Å; V748-S752 WeakPolarHBondContact CG1-OG 3.38Å; V748-L756 HydrophobicContact CB-CD2 4.38Å; V748-L756 HydrophobicContact CG1-CD2 3.88Å; V748-L756 HydrophobicContact CG2-CD2 3.84Å
749	C	95.7	Very high	93.4	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	133	178.2	-63.9	0	0	0	0	112.2	G683 E751 S752	G683-C749 VanDerWaalsContact C-SG 3.5Å; C749-E751 VanDerWaalsContact C-N 3.26Å; C749-E751 HydrophobicContact CB-CG 4.3Å; C749-E751 PolarHBondContact O-N 3.16Å; C749-E751 VanDerWaalsContact O-N 3.14Å; C749-S752 PolarHBondContact O-N 3.03Å; C749-S752 PolarHBondContact O-OG 3.24Å
750	K	95	Very high	93.9	Very high	150 Å²	150	52.9 Å²	52.9	65%	0.652	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-56.4	-34.8	-167.7	-174.2	177.8	179.4	-178.1	0	113.5	G704 S752 V753	G704-K750 WeakPolarHBondContact O-CB 3.42Å; G704-K750 PolarHBondContact O-N 2.75Å; K750-S752 VanDerWaalsContact C-N 3.26Å; K750-S752 PolarHBondContact O-N 2.92Å; K750-V753 WeakPolarHBondContact O-CB 3.38Å; K750-V753 PolarHBondContact O-N 3.12Å
751	E	93.6	Very high	94.2	Very high	140 Å²	140	55.5 Å²	55.5	65%	0.654	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-58.2	-32.9	175.6	67	-162.5	147.8	0	0	113.9	G683 C749	G683-E751 VanDerWaalsContact CA-OE1 3.27Å; G683-E751 WeakPolarHBondContact CA-OE1 3.49Å; C749-E751 VanDerWaalsContact C-N 3.26Å; C749-E751 HydrophobicContact CB-CG 4.3Å; C749-E751 PolarHBondContact O-N 3.16Å; C749-E751 VanDerWaalsContact O-N 3.14Å
752	S	93.2	Very high	94.3	Very high	20 Å²	20	56.1 Å²	56.1	14%	0.14	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-95.1	-9.2	-174.2	69.7	0	0	0	0	113.8	I722 V748 C749 K750 V755 L756	I722-S752 WeakPolarHBondContact CG2-OG 3.39Å; V748-S752 WeakPolarHBondContact CG1-OG 3.38Å; C749-S752 PolarHBondContact O-N 3.03Å; C749-S752 PolarHBondContact O-OG 3.24Å; K750-S752 VanDerWaalsContact C-N 3.26Å; K750-S752 PolarHBondContact O-N 2.92Å; S752-V755 PolarHBondContact O-N 3.06Å; S752-L756 WeakPolarHBondContact O-CB 3.48Å; S752-L756 PolarHBondContact O-N 2.92Å
753	V	93.9	Very high	94.3	Very high	23 Å²	23	57.7 Å²	57.7	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-54.1	-50	179.6	174.6	0	0	0	0	113.8	A706 L708 K750 V755 L756 I757	A706-V753 HydrophobicContact CB-CG2 3.67Å; L708-V753 HydrophobicContact CD2-CG1 4.33Å; K750-V753 WeakPolarHBondContact O-CB 3.38Å; K750-V753 PolarHBondContact O-N 3.12Å; V753-V755 PolarHBondContact O-N 2.87Å; V753-L756 PolarHBondContact O-N 2.98Å; V753-I757 HydrophobicContact CG1-CD1 3.56Å; V753-I757 HydrophobicContact CG1-CG1 4.25Å; V753-I757 WeakPolarHBondContact O-CB 3.5Å; V753-I757 WeakPolarHBondContact O-CG1 3.37Å; V753-I757 PolarHBondContact O-N 2.76Å
754	P	95	Very high	94.2	Very high	71 Å²	71	58.1 Å²	58.1	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-47.1	-178.7	22.4	-32.7	0	0	0	112	L756 I757 D758	P754-L756 VanDerWaalsContact C-N 3.29Å; P754-L756 PolarHBondContact O-N 2.86Å; P754-I757 PolarHBondContact O-N 3.06Å; P754-D758 PolarHBondContact O-N 3.38Å
755	V	94.5	Very high	94.2	Very high	85 Å²	85	57 Å²	57	52%	0.515	29%	0.288	S	S	.	.	H	α-helix	trans	-58.5	-42.2	178	-175.2	0	0	0	0	111.2	L720 S752 V753 A759	L720-V755 HydrophobicContact CD1-CG1 4.38Å; S752-V755 PolarHBondContact O-N 3.06Å; V753-V755 PolarHBondContact O-N 2.87Å; V755-A759 VanDerWaalsContact O-CB 3.28Å; V755-A759 WeakPolarHBondContact O-CB 3.23Å; V755-A759 PolarHBondContact O-N 2.84Å
756	L	94	Very high	94.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-70.2	-38.2	179.3	-178.6	55.7	0	0	0	112.7	L708 I713 I716 A717 L720 I722 V748 S752 V753 P754 W760	L708-L756 HydrophobicContact CD1-CD2 3.9Å; I713-L756 HydrophobicContact CD1-CD1 3.95Å; I713-L756 HydrophobicContact CD1-CD2 4.4Å; I713-L756 HydrophobicContact CD1-CG 3.82Å; I713-L756 HydrophobicContact CG1-CD1 4.16Å; I713-L756 HydrophobicContact CG1-CD2 4.02Å; I713-L756 HydrophobicContact CG1-CG 3.99Å; I716-L756 HydrophobicContact CB-CD1 4.26Å; I716-L756 HydrophobicContact CG2-CD1 3.88Å; A717-L756 HydrophobicContact CB-CD1 3.91Å; A717-L756 HydrophobicContact CB-CD2 4.26Å; L720-L756 HydrophobicContact CD1-CD1 4.25Å; I722-L756 HydrophobicContact CD1-CB 4.07Å; V748-L756 HydrophobicContact CB-CD2 4.38Å; V748-L756 HydrophobicContact CG1-CD2 3.88Å; V748-L756 HydrophobicContact CG2-CD2 3.84Å; S752-L756 WeakPolarHBondContact O-CB 3.48Å; S752-L756 PolarHBondContact O-N 2.92Å; V753-L756 PolarHBondContact O-N 2.98Å; P754-L756 VanDerWaalsContact C-N 3.29Å; P754-L756 PolarHBondContact O-N 2.86Å; L756-W760 WeakPolarHBondContact O-CB 3.39Å; L756-W760 PolarHBondContact O-N 2.84Å
757	I	94.8	Very high	94.1	Very high	40 Å²	40	61.2 Å²	61.2	21%	0.205	32%	0.316	C	S	.	.	H	α-helix	trans	-69.3	-42.8	176.6	-72.9	175.7	0	0	0	111.2	L708 L710 V753 P754 W760 R761	L708-I757 HydrophobicContact CD2-CD1 4.3Å; L710-I757 HydrophobicContact CD1-CG1 4.33Å; V753-I757 HydrophobicContact CG1-CD1 3.56Å; V753-I757 HydrophobicContact CG1-CG1 4.25Å; V753-I757 WeakPolarHBondContact O-CB 3.5Å; V753-I757 WeakPolarHBondContact O-CG1 3.37Å; V753-I757 PolarHBondContact O-N 2.76Å; P754-I757 PolarHBondContact O-N 3.06Å; I757-W760 WeakPolarHBondContact O-CB 3.42Å; I757-W760 PolarHBondContact O-N 2.66Å; I757-R761 HydrophobicContact CG2-CG 4.41Å; I757-R761 WeakPolarHBondContact O-CG 3.37Å; I757-R761 PolarHBondContact O-N 3.15Å
758	D	94.6	Very high	93.9	Very high	78 Å²	78	65.6 Å²	65.6	42%	0.417	34%	0.342	S	S	.	.	H	α-helix	trans	-72.6	-34.1	-179.2	-71	-28.3	0	0	0	112.4	P754 W760 R761 T762	P754-D758 PolarHBondContact O-N 3.38Å; D758-W760 VanDerWaalsContact C-N 3.35Å; D758-R761 WeakPolarHBondContact OD1-CD 3.28Å; D758-R761 IonicContact OD1-CZ 3.66Å; D758-R761 IonicContact OD1-NE 3.2Å; D758-R761 IonicContact OD1-NH1 2.67Å; D758-R761 PolarHBondContact OD1-NH1 2.98Å; D758-T762 WeakPolarHBondContact O-CB 3.29Å; D758-T762 PolarHBondContact O-N 3.49Å; D758-T762 PolarHBondContact O-OG1 2.84Å
759	A	94.7	Very high	93.9	Very high	23 Å²	23	71.2 Å²	71.2	19%	0.19	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-37.9	167.5	0	0	0	0	0	112.3	I716 L720 V755 T762 E763	I716-A759 HydrophobicContact CG2-CB 3.58Å; L720-A759 HydrophobicContact CD1-CB 3.7Å; L720-A759 HydrophobicContact CD2-CB 4.46Å; L720-A759 HydrophobicContact CG-CB 4.47Å; V755-A759 VanDerWaalsContact O-CB 3.28Å; V755-A759 WeakPolarHBondContact O-CB 3.23Å; V755-A759 PolarHBondContact O-N 2.84Å; A759-T762 PolarHBondContact O-N 2.81Å; A759-E763 PolarHBondContact O-N 2.86Å
760	W	94.9	Very high	93.8	Very high	54 Å²	54	75.7 Å²	75.7	21%	0.205	39%	0.39	C	S	.	.	H	α-helix	trans	-66	-47.2	174.2	-178.8	93.8	0	0	0	112	L710 S711 I713 I716 L756 I757 D758 T762 E763 Q764	L710-W760 HydrophobicContact CB-CZ2 4.46Å; L710-W760 HydrophobicContact CD1-CD2 4.12Å; L710-W760 HydrophobicContact CD1-CE3 4.3Å; L710-W760 HydrophobicContact CD1-CG 4.38Å; L710-W760 HydrophobicContact CD2-CH2 4.15Å; L710-W760 HydrophobicContact CD2-CZ2 4.16Å; L710-W760 HydrophobicContact CD2-CZ3 4.44Å; S711-W760 PolarHBondContact O-NE1 2.69Å; I713-W760 HydrophobicContact CD1-CB 3.66Å; I713-W760 HydrophobicContact CD1-CG 3.71Å; I716-W760 HydrophobicContact CD1-CB 4.03Å; I716-W760 VanDerWaalsContact CD1-CD1 3.47Å; I716-W760 HydrophobicContact CD1-CG 4.07Å; L756-W760 WeakPolarHBondContact O-CB 3.39Å; L756-W760 PolarHBondContact O-N 2.84Å; I757-W760 WeakPolarHBondContact O-CB 3.42Å; I757-W760 PolarHBondContact O-N 2.66Å; D758-W760 VanDerWaalsContact C-N 3.35Å; W760-T762 PolarHBondContact O-N 2.72Å; W760-E763 PolarHBondContact O-N 2.67Å; W760-Q764 HydrophobicContact CD2-CG 3.81Å; W760-Q764 HydrophobicContact CE3-CG 4.03Å; W760-Q764 HydrophobicContact CG-CG 4.46Å; W760-Q764 HydrophobicContact CH2-CG 3.93Å; W760-Q764 HydrophobicContact CZ2-CG 3.7Å; W760-Q764 HydrophobicContact CZ3-CG 4.08Å; W760-Q764 WeakPolarHBondContact O-CB 3.27Å; W760-Q764 VanDerWaalsContact O-CG 3.29Å; W760-Q764 WeakPolarHBondContact O-CG 3.27Å; W760-Q764 PolarHBondContact O-N 3.37Å
761	R	94.8	Very high	93.7	Very high	139 Å²	139	71.1 Å²	71.1	53%	0.525	37%	0.371	S	S	.	.	H	α-helix	trans	-53.6	-44	172.6	-73.4	164.8	169.2	164.1	-5.6	111.1	I757 D758 Q764 M765	I757-R761 HydrophobicContact CG2-CG 4.41Å; I757-R761 WeakPolarHBondContact O-CG 3.37Å; I757-R761 PolarHBondContact O-N 3.15Å; D758-R761 WeakPolarHBondContact OD1-CD 3.28Å; D758-R761 IonicContact OD1-CZ 3.66Å; D758-R761 IonicContact OD1-NE 3.2Å; D758-R761 IonicContact OD1-NH1 2.67Å; D758-R761 PolarHBondContact OD1-NH1 2.98Å; R761-Q764 PolarHBondContact O-N 2.75Å; R761-M765 WeakPolarHBondContact O-CB 3.45Å; R761-M765 WeakPolarHBondContact O-CG 3.21Å; R761-M765 PolarHBondContact O-N 2.93Å
762	T	93.8	Very high	93.6	Very high	66 Å²	66	69.7 Å²	69.7	41%	0.405	36%	0.364	S	S	.	.	H	α-helix	trans	-65.8	-45.7	178.3	-57.1	0	0	0	0	112.2	D758 A759 W760 Q764 M765 N766	D758-T762 WeakPolarHBondContact O-CB 3.29Å; D758-T762 PolarHBondContact O-N 3.49Å; D758-T762 PolarHBondContact O-OG1 2.84Å; A759-T762 PolarHBondContact O-N 2.81Å; W760-T762 PolarHBondContact O-N 2.72Å; T762-Q764 PolarHBondContact O-N 2.97Å; T762-M765 PolarHBondContact O-N 3.45Å; T762-N766 WeakPolarHBondContact O-CB 3.42Å; T762-N766 PolarHBondContact O-N 3.05Å; T762-N766 PolarHBondContact O-ND2 2.76Å
763	E	92.2	Very high	93.7	Very high	72 Å²	72	74.4 Å²	74.4	34%	0.336	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-42	176.8	-156.3	83.3	164.3	0	0	111.3	I716 K719 A759 W760 N766 A767	I716-E763 HydrophobicContact CD1-CB 4.1Å; I716-E763 HydrophobicContact CD1-CG 4.36Å; I716-E763 HydrophobicContact CG1-CB 4.21Å; I716-E763 HydrophobicContact CG1-CG 4.26Å; K719-E763 IonicContact NZ-OE1 2.59Å; K719-E763 PolarHBondContact NZ-OE1 2.88Å; K719-E763 IonicContact NZ-OE2 3.76Å; K719-E763 PolarHBondContact NZ-OE2 3.26Å; A759-E763 PolarHBondContact O-N 2.86Å; W760-E763 PolarHBondContact O-N 2.67Å; E763-N766 PolarHBondContact O-N 3.13Å; E763-A767 WeakPolarHBondContact O-CB 3.18Å; E763-A767 PolarHBondContact O-N 3.16Å
764	Q	92.5	Very high	93.7	Very high	85 Å²	85	77.7 Å²	77.7	40%	0.397	40%	0.398	S	S	.	.	H	α-helix	trans	-63.7	-47.3	176.3	-69.3	-61.6	114.3	0	0	112	W760 R761 T762 N766 A767 T768	W760-Q764 HydrophobicContact CD2-CG 3.81Å; W760-Q764 HydrophobicContact CE3-CG 4.03Å; W760-Q764 HydrophobicContact CG-CG 4.46Å; W760-Q764 HydrophobicContact CH2-CG 3.93Å; W760-Q764 HydrophobicContact CZ2-CG 3.7Å; W760-Q764 HydrophobicContact CZ3-CG 4.08Å; W760-Q764 WeakPolarHBondContact O-CB 3.27Å; W760-Q764 VanDerWaalsContact O-CG 3.29Å; W760-Q764 WeakPolarHBondContact O-CG 3.27Å; W760-Q764 PolarHBondContact O-N 3.37Å; R761-Q764 PolarHBondContact O-N 2.75Å; T762-Q764 PolarHBondContact O-N 2.97Å; Q764-N766 VanDerWaalsContact C-N 3.28Å; Q764-N766 PolarHBondContact O-N 2.83Å; Q764-A767 PolarHBondContact O-N 2.89Å; Q764-T768 PolarHBondContact O-N 3.1Å; Q764-T768 PolarHBondContact O-OG1 3.04Å; Q764-T768 VanDerWaalsContact O-OG1 3.11Å
765	M	92.6	Very high	93.6	Very high	106 Å²	106	78 Å²	78	52%	0.522	39%	0.39	S	S	.	.	H	α-helix	trans	-58.9	-40	175.2	-76.5	-172	-68.2	0	0	112.2	R761 T762 K769	R761-M765 WeakPolarHBondContact O-CB 3.45Å; R761-M765 WeakPolarHBondContact O-CG 3.21Å; R761-M765 PolarHBondContact O-N 2.93Å; T762-M765 PolarHBondContact O-N 3.45Å; M765-K769 VanDerWaalsContact O-CG 3.29Å; M765-K769 WeakPolarHBondContact O-CG 3.46Å; M765-K769 PolarHBondContact O-N 2.99Å
766	N	92.9	Very high	93.6	Very high	78 Å²	78	77.8 Å²	77.8	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-70.2	-38.3	177.8	-69	-19.8	0	0	0	111.9	T762 E763 Q764 K769 L770	T762-N766 WeakPolarHBondContact O-CB 3.42Å; T762-N766 PolarHBondContact O-N 3.05Å; T762-N766 PolarHBondContact O-ND2 2.76Å; E763-N766 PolarHBondContact O-N 3.13Å; Q764-N766 VanDerWaalsContact C-N 3.28Å; Q764-N766 PolarHBondContact O-N 2.83Å; N766-K769 PolarHBondContact O-N 2.83Å; N766-L770 WeakPolarHBondContact O-CB 3.49Å; N766-L770 PolarHBondContact O-N 2.95Å
767	A	91.9	Very high	93.7	Very high	51 Å²	51	83.5 Å²	83.5	42%	0.421	41%	0.412	S	S	.	.	H	α-helix	trans	-63.5	-44.9	173.7	0	0	0	0	0	111.9	E763 Q764 K769 L770 E771	E763-A767 WeakPolarHBondContact O-CB 3.18Å; E763-A767 PolarHBondContact O-N 3.16Å; Q764-A767 PolarHBondContact O-N 2.89Å; A767-K769 PolarHBondContact O-N 3.09Å; A767-L770 PolarHBondContact O-N 3.2Å; A767-E771 WeakPolarHBondContact O-CB 3.18Å; A767-E771 PolarHBondContact O-N 3.1Å
768	T	92.9	Very high	93.7	Very high	91 Å²	91	86 Å²	86	56%	0.558	42%	0.419	S	S	*	.	H	α-helix	trans	-63.2	-40.2	176.3	-56.7	0	0	0	0	112.1	Q764 H772	Q764-T768 PolarHBondContact O-N 3.1Å; Q764-T768 PolarHBondContact O-OG1 3.04Å; Q764-T768 VanDerWaalsContact O-OG1 3.11Å; T768-H772 WeakPolarHBondContact O-CB 3.41Å; T768-H772 PolarHBondContact O-N 3.45Å
769	K	94.1	Very high	93.7	Very high	120 Å²	120	85.7 Å²	85.7	52%	0.522	42%	0.419	S	S	.	.	H	α-helix	trans	-61.6	-49.4	173.4	-74.6	170.5	-176.4	176.4	0	111.7	M765 N766 A767 E771 H772 E773	M765-K769 VanDerWaalsContact O-CG 3.29Å; M765-K769 WeakPolarHBondContact O-CG 3.46Å; M765-K769 PolarHBondContact O-N 2.99Å; N766-K769 PolarHBondContact O-N 2.83Å; A767-K769 PolarHBondContact O-N 3.09Å; K769-E771 PolarHBondContact O-N 2.82Å; K769-H772 WeakPolarHBondContact O-CB 3.41Å; K769-H772 PolarHBondContact O-N 2.73Å; K769-H772 VanDerWaalsContact O-N 3.13Å; K769-E773 WeakPolarHBondContact O-CG 3.49Å; K769-E773 PolarHBondContact O-N 2.97Å
770	L	94.6	Very high	93.7	Very high	97 Å²	97	88.9 Å²	88.9	51%	0.508	43%	0.432	S	S	.	.	H	α-helix	trans	-61	-42.6	178.5	-177.2	62.9	0	0	0	112	N766 A767 H772 E773 E774	N766-L770 WeakPolarHBondContact O-CB 3.49Å; N766-L770 PolarHBondContact O-N 2.95Å; A767-L770 PolarHBondContact O-N 3.2Å; L770-H772 VanDerWaalsContact C-N 3.28Å; L770-H772 PolarHBondContact O-N 3.38Å; L770-E773 PolarHBondContact O-N 3.05Å; L770-E774 WeakPolarHBondContact O-CB 3.5Å; L770-E774 WeakPolarHBondContact O-CG 3.45Å; L770-E774 PolarHBondContact O-N 2.7Å
771	E	92.6	Very high	93.8	Very high	54 Å²	54	92.9 Å²	92.9	25%	0.252	45%	0.451	S	S	.	.	H	α-helix	trans	-67.4	-29.5	177.2	-156.2	-147.5	129.7	0	0	112.5	A767 K769 R775	A767-E771 WeakPolarHBondContact O-CB 3.18Å; A767-E771 PolarHBondContact O-N 3.1Å; K769-E771 PolarHBondContact O-N 2.82Å; E771-R775 WeakPolarHBondContact O-CB 3.5Å; E771-R775 PolarHBondContact O-N 2.68Å; E771-R775 PolarHBondContact O-NH1 3.29Å; E771-R775 VanDerWaalsContact O-NH1 3.1Å; E771-R775 IonicContact OE1-CZ 2.71Å; E771-R775 IonicContact OE1-NH1 2.75Å; E771-R775 PolarHBondContact OE1-NH1 3.2Å; E771-R775 IonicContact OE1-NH2 3.86Å; E771-R775 PolarHBondContact OE1-NH2 3.23Å
772	H	92	Very high	93.8	Very high	110 Å²	110	91.1 Å²	91.1	51%	0.509	45%	0.452	S	S	.	.	H	α-helix	trans	-72.3	-44.6	172.5	-170.9	86.5	0	0	0	111.5	T768 K769 L770 R775 I776	T768-H772 WeakPolarHBondContact O-CB 3.41Å; T768-H772 PolarHBondContact O-N 3.45Å; K769-H772 WeakPolarHBondContact O-CB 3.41Å; K769-H772 PolarHBondContact O-N 2.73Å; K769-H772 VanDerWaalsContact O-N 3.13Å; L770-H772 VanDerWaalsContact C-N 3.28Å; L770-H772 PolarHBondContact O-N 3.38Å; H772-R775 WeakPolarHBondContact O-CB 3.47Å; H772-R775 PolarHBondContact O-N 2.84Å; H772-I776 WeakPolarHBondContact O-CG1 3.43Å; H772-I776 PolarHBondContact O-N 3.23Å
773	E	94.1	Very high	93.9	Very high	119 Å²	119	95.3 Å²	95.3	56%	0.556	46%	0.461	S	S	*	.	H	α-helix	trans	-61.1	-46.7	174.6	-73.1	168.6	-157.7	0	0	111.7	K769 L770 R775 I776 E777	K769-E773 WeakPolarHBondContact O-CG 3.49Å; K769-E773 PolarHBondContact O-N 2.97Å; L770-E773 PolarHBondContact O-N 3.05Å; E773-R775 VanDerWaalsContact C-N 3.31Å; E773-R775 PolarHBondContact O-N 3.28Å; E773-I776 PolarHBondContact O-N 2.86Å; E773-E777 PolarHBondContact O-N 2.9Å
774	E	93.6	Very high	94	Very high	91 Å²	91	98.5 Å²	98.5	43%	0.425	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-36.9	172.8	-75.1	-170.6	-177	0	0	112.7	L770 E777 R778	L770-E774 WeakPolarHBondContact O-CB 3.5Å; L770-E774 WeakPolarHBondContact O-CG 3.45Å; L770-E774 PolarHBondContact O-N 2.7Å; E774-E777 PolarHBondContact O-N 3.41Å; E774-R778 VanDerWaalsContact CB-NH2 3.26Å; E774-R778 VanDerWaalsContact O-CB 3.31Å; E774-R778 WeakPolarHBondContact O-CB 3.49Å; E774-R778 WeakPolarHBondContact O-CG 3.31Å; E774-R778 PolarHBondContact O-N 3.04Å; E774-R778 PolarHBondContact O-NE 2.71Å; E774-R778 IonicContact OE2-CZ 3.97Å; E774-R778 IonicContact OE2-NH2 2.68Å; E774-R778 PolarHBondContact OE2-NH2 2.79Å
775	R	93.9	Very high	94	Very high	78 Å²	78	104 Å²	104	29%	0.294	49%	0.491	S	S	.	.	H	α-helix	trans	-67.1	-40.9	177.4	-179	-174.8	-87.9	88	-9.3	110.1	S123 E771 H772 E773 V779	S123-R775 PolarHBondContact OG-NH2 2.93Å; E771-R775 WeakPolarHBondContact O-CB 3.5Å; E771-R775 PolarHBondContact O-N 2.68Å; E771-R775 PolarHBondContact O-NH1 3.29Å; E771-R775 VanDerWaalsContact O-NH1 3.1Å; E771-R775 IonicContact OE1-CZ 2.71Å; E771-R775 IonicContact OE1-NH1 2.75Å; E771-R775 PolarHBondContact OE1-NH1 3.2Å; E771-R775 IonicContact OE1-NH2 3.86Å; E771-R775 PolarHBondContact OE1-NH2 3.23Å; H772-R775 WeakPolarHBondContact O-CB 3.47Å; H772-R775 PolarHBondContact O-N 2.84Å; E773-R775 VanDerWaalsContact C-N 3.31Å; E773-R775 PolarHBondContact O-N 3.28Å; R775-V779 WeakPolarHBondContact O-CB 3.39Å; R775-V779 VanDerWaalsContact O-CG2 3.25Å; R775-V779 WeakPolarHBondContact O-CG2 3.39Å; R775-V779 PolarHBondContact O-N 3.27Å
776	I	94.6	Very high	94.1	Very high	81 Å²	81	103.4 Å²	103.4	42%	0.415	49%	0.489	S	S	.	.	H	α-helix	trans	-62	-47.3	170.5	-70.3	169.2	0	0	0	110.8	H772 E773 R778 V779 L780	H772-I776 WeakPolarHBondContact O-CG1 3.43Å; H772-I776 PolarHBondContact O-N 3.23Å; E773-I776 PolarHBondContact O-N 2.86Å; I776-R778 PolarHBondContact O-N 3.07Å; I776-V779 PolarHBondContact O-N 3.2Å; I776-L780 HydrophobicContact CG2-CD1 3.76Å; I776-L780 HydrophobicContact CG2-CG 4.19Å; I776-L780 WeakPolarHBondContact O-CB 3.25Å; I776-L780 WeakPolarHBondContact O-CG 3.44Å; I776-L780 PolarHBondContact O-N 3.47Å
777	E	94.7	Very high	94.2	Very high	120 Å²	120	102.6 Å²	102.6	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-62.6	-43	179.9	-156.3	-141.9	137.3	0	0	111.4	E773 E774 V779 L780 K781	E773-E777 PolarHBondContact O-N 2.9Å; E774-E777 PolarHBondContact O-N 3.41Å; E777-V779 PolarHBondContact O-N 2.93Å; E777-L780 PolarHBondContact O-N 3.33Å; E777-K781 WeakPolarHBondContact O-CB 3.28Å; E777-K781 PolarHBondContact O-N 3.39Å
778	R	95.1	Very high	94.3	Very high	94 Å²	94	109 Å²	109	36%	0.355	50%	0.5	S	S	.	.	H	α-helix	trans	-57.8	-45.9	172.7	-80.2	177.3	-96.9	127.9	-9.2	111.9	E774 I776 K781 N782	E774-R778 VanDerWaalsContact CB-NH2 3.26Å; E774-R778 VanDerWaalsContact O-CB 3.31Å; E774-R778 WeakPolarHBondContact O-CB 3.49Å; E774-R778 WeakPolarHBondContact O-CG 3.31Å; E774-R778 PolarHBondContact O-N 3.04Å; E774-R778 PolarHBondContact O-NE 2.71Å; E774-R778 IonicContact OE2-CZ 3.97Å; E774-R778 IonicContact OE2-NH2 2.68Å; E774-R778 PolarHBondContact OE2-NH2 2.79Å; I776-R778 PolarHBondContact O-N 3.07Å; R778-K781 PolarHBondContact O-N 2.97Å; R778-N782 WeakPolarHBondContact O-CB 3.42Å; R778-N782 VanDerWaalsContact O-CG 3.25Å; R778-N782 PolarHBondContact O-N 3.5Å; R778-N782 PolarHBondContact O-ND2 2.94Å
779	V	95.1	Very high	94.3	Very high	71 Å²	71	106.5 Å²	106.5	43%	0.43	49%	0.492	S	S	.	.	H	α-helix	trans	-62.1	-49.4	176.4	166.2	0	0	0	0	111	R775 I776 E777 K781 N782 W783	R775-V779 WeakPolarHBondContact O-CB 3.39Å; R775-V779 VanDerWaalsContact O-CG2 3.25Å; R775-V779 WeakPolarHBondContact O-CG2 3.39Å; R775-V779 PolarHBondContact O-N 3.27Å; I776-V779 PolarHBondContact O-N 3.2Å; E777-V779 PolarHBondContact O-N 2.93Å; V779-K781 VanDerWaalsContact C-N 3.32Å; V779-K781 PolarHBondContact O-N 2.96Å; V779-N782 PolarHBondContact O-N 2.99Å; V779-W783 VanDerWaalsContact O-CD1 3.26Å; V779-W783 PolarHBondContact O-N 3.07Å
780	L	95.4	Very high	94.3	Very high	89 Å²	89	105.5 Å²	105.5	47%	0.466	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-35.9	178	-69.5	174.4	0	0	0	112.7	I776 E777 K784	I776-L780 HydrophobicContact CG2-CD1 3.76Å; I776-L780 HydrophobicContact CG2-CG 4.19Å; I776-L780 WeakPolarHBondContact O-CB 3.25Å; I776-L780 WeakPolarHBondContact O-CG 3.44Å; I776-L780 PolarHBondContact O-N 3.47Å; E777-L780 PolarHBondContact O-N 3.33Å; L780-K784 WeakPolarHBondContact O-CB 3.43Å; L780-K784 VanDerWaalsContact O-CG 3.22Å; L780-K784 WeakPolarHBondContact O-CG 3.38Å; L780-K784 PolarHBondContact O-N 2.84Å
781	K	95.9	Very high	94.1	Very high	138 Å²	138	108 Å²	108	60%	0.6	50%	0.499	S	S	*	.	H	α-helix	trans	-68.2	-38.3	175.4	-170.8	171.3	-173.7	167.6	0	111.7	E777 R778 V779 R785	E777-K781 WeakPolarHBondContact O-CB 3.28Å; E777-K781 PolarHBondContact O-N 3.39Å; R778-K781 PolarHBondContact O-N 2.97Å; V779-K781 VanDerWaalsContact C-N 3.32Å; V779-K781 PolarHBondContact O-N 2.96Å; K781-R785 PolarHBondContact O-N 2.95Å; K781-R785 VanDerWaalsContact O-N 3.07Å
782	N	94.8	Very high	93.9	Very high	103 Å²	103	110.7 Å²	110.7	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-68.2	-44.2	173	-72.5	-14.8	0	0	0	112	R778 V779 K784 R785 L786	R778-N782 WeakPolarHBondContact O-CB 3.42Å; R778-N782 VanDerWaalsContact O-CG 3.25Å; R778-N782 PolarHBondContact O-N 3.5Å; R778-N782 PolarHBondContact O-ND2 2.94Å; V779-N782 PolarHBondContact O-N 2.99Å; N782-K784 PolarHBondContact O-N 2.86Å; N782-R785 WeakPolarHBondContact O-CA 3.4Å; N782-R785 WeakPolarHBondContact O-CB 3.39Å; N782-R785 PolarHBondContact O-N 3.22Å; N782-R785 VanDerWaalsContact O-N 3.08Å; N782-L786 PolarHBondContact O-N 3.45Å
783	W	95.7	Very high	93.7	Very high	153 Å²	153	112.9 Å²	112.9	58%	0.58	52%	0.518	S	S	*	.	H	α-helix	trans	-59.8	-44.3	172.6	-83.5	106.9	0	0	0	112.4	V779 R785 L786 V787	V779-W783 VanDerWaalsContact O-CD1 3.26Å; V779-W783 PolarHBondContact O-N 3.07Å; W783-R785 PolarHBondContact O-N 2.67Å; W783-L786 HydrophobicContact CE3-CD2 3.79Å; W783-L786 HydrophobicContact CH2-CD2 4.46Å; W783-L786 HydrophobicContact CZ3-CD2 3.67Å; W783-L786 PolarHBondContact O-N 3.12Å; W783-V787 WeakPolarHBondContact O-CB 3.36Å; W783-V787 WeakPolarHBondContact O-CG2 3.41Å; W783-V787 PolarHBondContact O-N 2.92Å
784	K	94.9	Very high	93.4	Very high	140 Å²	140	113.2 Å²	113.2	61%	0.609	52%	0.52	S	S	*	.	H	α-helix	trans	-59.4	-32.6	173.4	-75.3	167.3	-177	173.6	0	112.4	L780 N782 R788	L780-K784 WeakPolarHBondContact O-CB 3.43Å; L780-K784 VanDerWaalsContact O-CG 3.22Å; L780-K784 WeakPolarHBondContact O-CG 3.38Å; L780-K784 PolarHBondContact O-N 2.84Å; N782-K784 PolarHBondContact O-N 2.86Å; K784-R788 WeakPolarHBondContact O-CB 3.34Å; K784-R788 WeakPolarHBondContact O-CD 3.21Å; K784-R788 WeakPolarHBondContact O-CG 3.39Å; K784-R788 PolarHBondContact O-N 3.04Å
785	R	93.2	Very high	93.1	Very high	199 Å²	199	117.3 Å²	117.3	75%	0.751	53%	0.531	S	S	*	.	H	α-helix	trans	-72.6	-44.6	173.6	-173.4	179.8	179	-175.9	-1.2	111.9	K781 N782 W783 R788 G789	K781-R785 PolarHBondContact O-N 2.95Å; K781-R785 VanDerWaalsContact O-N 3.07Å; N782-R785 WeakPolarHBondContact O-CA 3.4Å; N782-R785 WeakPolarHBondContact O-CB 3.39Å; N782-R785 PolarHBondContact O-N 3.22Å; N782-R785 VanDerWaalsContact O-N 3.08Å; W783-R785 PolarHBondContact O-N 2.67Å; R785-R788 PolarHBondContact O-N 3.39Å; R785-G789 PolarHBondContact O-N 3.04Å
786	L	94.3	Very high	92.7	Very high	94 Å²	94	116.5 Å²	116.5	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-59.7	-52.6	177.4	-175.7	73.6	0	0	0	111.5	N782 W783 R788 G789 L790	N782-L786 PolarHBondContact O-N 3.45Å; W783-L786 HydrophobicContact CE3-CD2 3.79Å; W783-L786 HydrophobicContact CH2-CD2 4.46Å; W783-L786 HydrophobicContact CZ3-CD2 3.67Å; W783-L786 PolarHBondContact O-N 3.12Å; L786-R788 VanDerWaalsContact C-N 3.35Å; L786-R788 PolarHBondContact O-N 3.16Å; L786-G789 CarbonylContact O-C 3.55Å; L786-G789 WeakPolarHBondContact O-CA 3.37Å; L786-G789 PolarHBondContact O-N 3.01Å; L786-L790 HydrophobicContact CG-CD1 4.37Å; L786-L790 PolarHBondContact O-N 3.26Å
787	V	95.4	Very high	92.2	Very high	62 Å²	62	118.6 Å²	118.6	38%	0.376	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-39.6	-178.8	171.9	0	0	0	0	111.6	W783 G789 L790 F791	W783-V787 WeakPolarHBondContact O-CB 3.36Å; W783-V787 WeakPolarHBondContact O-CG2 3.41Å; W783-V787 PolarHBondContact O-N 2.92Å; V787-G789 VanDerWaalsContact C-N 3.34Å; V787-G789 PolarHBondContact O-N 2.91Å; V787-L790 PolarHBondContact O-N 3.33Å; V787-F791 HydrophobicContact CG1-CD2 3.75Å; V787-F791 HydrophobicContact CG1-CE2 3.47Å; V787-F791 VanDerWaalsContact CG1-CE2 3.47Å; V787-F791 VanDerWaalsContact O-CD2 3.24Å; V787-F791 WeakPolarHBondContact O-CD2 3.29Å; V787-F791 PolarHBondContact O-N 3.24Å
788	R	93	Very high	91.7	Very high	185 Å²	185	114.8 Å²	114.8	70%	0.698	53%	0.53	S	S	*	.	H	α-helix	trans	-62.8	-39.5	171.3	-76.6	174.3	176.4	-172.1	-2	112.2	K784 R785 L786 F791 I792	K784-R788 WeakPolarHBondContact O-CB 3.34Å; K784-R788 WeakPolarHBondContact O-CD 3.21Å; K784-R788 WeakPolarHBondContact O-CG 3.39Å; K784-R788 PolarHBondContact O-N 3.04Å; R785-R788 PolarHBondContact O-N 3.39Å; L786-R788 VanDerWaalsContact C-N 3.35Å; L786-R788 PolarHBondContact O-N 3.16Å; R788-F791 PolarHBondContact O-N 3.15Å; R788-I792 WeakPolarHBondContact O-CD1 3.21Å; R788-I792 VanDerWaalsContact O-CG1 3.26Å; R788-I792 WeakPolarHBondContact O-CG1 3.49Å; R788-I792 PolarHBondContact O-N 2.88Å
789	G	94.1	Very high	90.8	Very high	38 Å²	38	115.9 Å²	115.9	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-59.8	-45.8	173.3	0	0	0	0	0	112.5	R785 L786 V787 I792 W793	R785-G789 PolarHBondContact O-N 3.04Å; L786-G789 CarbonylContact O-C 3.55Å; L786-G789 WeakPolarHBondContact O-CA 3.37Å; L786-G789 PolarHBondContact O-N 3.01Å; V787-G789 VanDerWaalsContact C-N 3.34Å; V787-G789 PolarHBondContact O-N 2.91Å; G789-I792 PolarHBondContact O-N 3.07Å; G789-W793 WeakPolarHBondContact O-CB 3.36Å; G789-W793 PolarHBondContact O-N 2.86Å
790	L	93.4	Very high	90.1	Very high	100 Å²	100	119.9 Å²	119.9	52%	0.524	55%	0.551	S	S	.	*	H	α-helix	trans	-63	-44	176.9	-69.2	169.4	0	0	0	112.4	L786 V787 I792 W793 H794	L786-L790 HydrophobicContact CG-CD1 4.37Å; L786-L790 PolarHBondContact O-N 3.26Å; V787-L790 PolarHBondContact O-N 3.33Å; L790-I792 PolarHBondContact O-N 3.34Å; L790-W793 PolarHBondContact O-N 2.91Å; L790-H794 WeakPolarHBondContact O-CB 3.37Å; L790-H794 PolarHBondContact O-N 3Å
791	F	91.3	Very high	89	Confident	149 Å²	149	118.9 Å²	118.9	65%	0.654	56%	0.555	S	S	*	*	H	α-helix	trans	-63.5	-39.1	174.8	-78.5	-56.9	0	0	0	112.9	V787 R788 R795	V787-F791 HydrophobicContact CG1-CD2 3.75Å; V787-F791 HydrophobicContact CG1-CE2 3.47Å; V787-F791 VanDerWaalsContact CG1-CE2 3.47Å; V787-F791 VanDerWaalsContact O-CD2 3.24Å; V787-F791 WeakPolarHBondContact O-CD2 3.29Å; V787-F791 PolarHBondContact O-N 3.24Å; R788-F791 PolarHBondContact O-N 3.15Å; F791-R795 WeakPolarHBondContact O-CB 3.43Å; F791-R795 PolarHBondContact O-N 2.9Å
792	I	88.1	Confident	87.3	Confident	111 Å²	111	117.6 Å²	117.6	57%	0.569	56%	0.555	S	S	*	*	H	α-helix	trans	-65.2	-46.9	174.7	-69.4	165.1	0	0	0	110.2	R788 G789 L790 H794 R795 V796	R788-I792 WeakPolarHBondContact O-CD1 3.21Å; R788-I792 VanDerWaalsContact O-CG1 3.26Å; R788-I792 WeakPolarHBondContact O-CG1 3.49Å; R788-I792 PolarHBondContact O-N 2.88Å; G789-I792 PolarHBondContact O-N 3.07Å; L790-I792 PolarHBondContact O-N 3.34Å; I792-H794 VanDerWaalsContact C-N 3.35Å; I792-H794 PolarHBondContact O-N 3.01Å; I792-R795 PolarHBondContact O-N 3.41Å; I792-V796 HydrophobicContact CG2-CG2 4.35Å; I792-V796 WeakPolarHBondContact O-CB 3.25Å; I792-V796 VanDerWaalsContact O-CG2 3.3Å; I792-V796 WeakPolarHBondContact O-CG2 3.37Å; I792-V796 PolarHBondContact O-N 2.79Å
793	W	87.4	Confident	85.6	Confident	156 Å²	156	115.4 Å²	115.4	59%	0.591	55%	0.551	S	S	*	*	H	α-helix	trans	-58.4	-44.5	176.7	-179.4	86.9	0	0	0	112	G789 L790 V796 K797	G789-W793 WeakPolarHBondContact O-CB 3.36Å; G789-W793 PolarHBondContact O-N 2.86Å; L790-W793 PolarHBondContact O-N 2.91Å; W793-V796 PolarHBondContact O-N 2.8Å; W793-K797 HydrophobicContact CH2-CD 3.81Å; W793-K797 HydrophobicContact CZ2-CD 4.1Å; W793-K797 HydrophobicContact CZ3-CD 4.11Å; W793-K797 WeakPolarHBondContact O-CB 3.38Å; W793-K797 PolarHBondContact O-N 2.76Å
794	H	88	Confident	83.7	Confident	125 Å²	125	112.5 Å²	112.5	58%	0.579	55%	0.551	S	S	*	*	H	α-helix	trans	-67	-38	177.7	-162.7	-51.3	0	0	0	112.4	L790 I792 A798	L790-H794 WeakPolarHBondContact O-CB 3.37Å; L790-H794 PolarHBondContact O-N 3Å; I792-H794 VanDerWaalsContact C-N 3.35Å; I792-H794 PolarHBondContact O-N 3.01Å; H794-A798 WeakPolarHBondContact O-CB 3.37Å; H794-A798 PolarHBondContact O-N 2.9Å
795	R	87.4	Confident	81.8	Confident	178 Å²	178	111.9 Å²	111.9	67%	0.672	55%	0.554	S	S	*	*	H	α-helix	trans	-64.4	-43.9	173.9	179.2	175.5	175.3	160.6	1.4	111.6	F791 I792 A798 Q799	F791-R795 WeakPolarHBondContact O-CB 3.43Å; F791-R795 PolarHBondContact O-N 2.9Å; I792-R795 PolarHBondContact O-N 3.41Å; R795-A798 PolarHBondContact O-N 3.08Å; R795-Q799 WeakPolarHBondContact O-CG 3.46Å; R795-Q799 PolarHBondContact O-N 3.27Å
796	V	85.5	Confident	80	Confident	61 Å²	61	109.2 Å²	109.2	37%	0.37	55%	0.55	S	S	.	*	H	α-helix	trans	-63.9	-47.3	176.9	169.9	0	0	0	0	110.5	I792 W793 A798 Q799 F800	I792-V796 HydrophobicContact CG2-CG2 4.35Å; I792-V796 WeakPolarHBondContact O-CB 3.25Å; I792-V796 VanDerWaalsContact O-CG2 3.3Å; I792-V796 WeakPolarHBondContact O-CG2 3.37Å; I792-V796 PolarHBondContact O-N 2.79Å; W793-V796 PolarHBondContact O-N 2.8Å; V796-A798 VanDerWaalsContact C-N 3.32Å; V796-A798 PolarHBondContact O-N 3.21Å; V796-Q799 PolarHBondContact O-N 2.94Å; V796-Q799 VanDerWaalsContact O-N 3.17Å; V796-F800 HydrophobicContact CG1-CD2 3.71Å; V796-F800 HydrophobicContact CG1-CE2 3.71Å; V796-F800 WeakPolarHBondContact O-CD2 3.3Å; V796-F800 PolarHBondContact O-N 3.02Å
797	K	84.5	Confident	78	Confident	125 Å²	125	111 Å²	111	54%	0.543	56%	0.56	S	S	.	*	H	α-helix	trans	-58.1	-41.9	175.8	-171.3	174.9	-178.8	179.6	0	111.9	W793 F800 A801	W793-K797 HydrophobicContact CH2-CD 3.81Å; W793-K797 HydrophobicContact CZ2-CD 4.1Å; W793-K797 HydrophobicContact CZ3-CD 4.11Å; W793-K797 WeakPolarHBondContact O-CB 3.38Å; W793-K797 PolarHBondContact O-N 2.76Å; K797-F800 PolarHBondContact O-N 3.35Å; K797-A801 WeakPolarHBondContact O-CB 3.39Å; K797-A801 PolarHBondContact O-N 3.22Å
798	A	82.8	Confident	75.8	Confident	40 Å²	40	116.5 Å²	116.5	33%	0.331	58%	0.579	S	S	.	*	H	α-helix	trans	-65.4	-41	175.5	0	0	0	0	0	112.8	H794 R795 V796 A801 L802	H794-A798 WeakPolarHBondContact O-CB 3.37Å; H794-A798 PolarHBondContact O-N 2.9Å; R795-A798 PolarHBondContact O-N 3.08Å; V796-A798 VanDerWaalsContact C-N 3.32Å; V796-A798 PolarHBondContact O-N 3.21Å; A798-A801 PolarHBondContact O-N 3.38Å; A798-L802 WeakPolarHBondContact O-CG 3.49Å; A798-L802 PolarHBondContact O-N 3.1Å; A798-L802 VanDerWaalsContact O-N 3.08Å
799	Q	76.7	Confident	73.7	Confident	116 Å²	116	114.6 Å²	114.6	54%	0.542	58%	0.578	S	S	.	*	H	α-helix	trans	-64.6	-41.2	176.1	-74	-177.6	-52.4	0	0	112.2	R795 V796 L802 A803	R795-Q799 WeakPolarHBondContact O-CG 3.46Å; R795-Q799 PolarHBondContact O-N 3.27Å; V796-Q799 PolarHBondContact O-N 2.94Å; V796-Q799 VanDerWaalsContact O-N 3.17Å; Q799-L802 PolarHBondContact O-N 3.48Å; Q799-A803 PolarHBondContact O-N 3.44Å
800	F	80.1	Confident	71.6	Confident	155 Å²	155	117 Å²	117	68%	0.68	59%	0.585	S	S	*	*	H	α-helix	trans	-70	-31	174.2	-78.6	-68.9	0	0	0	113.4	V796 K797 L802 A803 P804	V796-F800 HydrophobicContact CG1-CD2 3.71Å; V796-F800 HydrophobicContact CG1-CE2 3.71Å; V796-F800 WeakPolarHBondContact O-CD2 3.3Å; V796-F800 PolarHBondContact O-N 3.02Å; K797-F800 PolarHBondContact O-N 3.35Å; F800-L802 VanDerWaalsContact C-N 3.33Å; F800-A803 PolarHBondContact O-N 2.87Å; F800-P804 WeakPolarHBondContact O-CD 3.48Å
801	A	72.9	Confident	69.3	Low	68 Å²	68	118 Å²	118	56%	0.562	60%	0.595	S	S	*	*	H	α-helix	trans	-69.6	-27.3	173.7	0	0	0	0	0	113.4	K797 A798 P804	K797-A801 WeakPolarHBondContact O-CB 3.39Å; K797-A801 PolarHBondContact O-N 3.22Å; A798-A801 PolarHBondContact O-N 3.38Å; A801-P804 WeakPolarHBondContact O-CD 3.41Å
802	L	59.8	Low	67.2	Low	112 Å²	112	116.3 Å²	116.3	59%	0.586	60%	0.597	S	S	*	*	H	α-helix	trans	-84.2	-23.1	176.5	-70.3	169.5	0	0	0	113.4	A798 Q799 F800 P804 L805	A798-L802 WeakPolarHBondContact O-CG 3.49Å; A798-L802 PolarHBondContact O-N 3.1Å; A798-L802 VanDerWaalsContact O-N 3.08Å; Q799-L802 PolarHBondContact O-N 3.48Å; F800-L802 VanDerWaalsContact C-N 3.33Å; L802-P804 VanDerWaalsContact C-CD 3.43Å; L802-L805 PolarHBondContact O-N 3.23Å; L802-L805 VanDerWaalsContact O-N 3.14Å
803	A	59.1	Low	65.3	Low	57 Å²	57	118.8 Å²	118.8	47%	0.471	61%	0.607	S	S	.	*	H	α-helix	trans	-54.1	-38.9	-177	0	0	0	0	0	115.3	Q799 F800 L805	Q799-A803 PolarHBondContact O-N 3.44Å; F800-A803 PolarHBondContact O-N 2.87Å; A803-L805 VanDerWaalsContact C-N 3.29Å; A803-L805 PolarHBondContact O-N 3.1Å
804	P	55.7	Low	63.1	Low	91 Å²	91	119.6 Å²	119.6	59%	0.591	61%	0.614	S	S	*	*	H	α-helix	trans	-65.8	-26.3	179.1	-22.6	34.8	0	0	0	114.4	F800 A801 L802	F800-P804 WeakPolarHBondContact O-CD 3.48Å; A801-P804 WeakPolarHBondContact O-CD 3.41Å; L802-P804 VanDerWaalsContact C-CD 3.43Å
805	L	54.5	Low	61	Low	128 Å²	128	125.4 Å²	125.4	67%	0.67	63%	0.633	S	S	*	*	H	α-helix	trans	-78.9	-31.9	-174.9	-67.1	174.4	0	0	0	112.7	L802 A803 N807	L802-L805 PolarHBondContact O-N 3.23Å; L802-L805 VanDerWaalsContact O-N 3.14Å; A803-L805 VanDerWaalsContact C-N 3.29Å; A803-L805 PolarHBondContact O-N 3.1Å; L805-N807 VanDerWaalsContact C-N 3.27Å; L805-N807 PolarHBondContact O-N 3.47Å
806	H	55.5	Low	58.7	Low	143 Å²	143	123.9 Å²	123.9	66%	0.662	63%	0.633	S	S	*	*	H	α-helix	trans	-69.4	-25.6	-175.5	-136.5	64.2	0	0	0	113	K808	H806-K808 PolarHBondContact O-N 3.22Å; H806-K808 VanDerWaalsContact O-N 3.14Å
807	N	53.6	Low	56.7	Low	131 Å²	131	129.9 Å²	129.9	70%	0.701	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	2.8	-172.4	-133.9	23.7	0	0	0	114.7	L805	L805-N807 VanDerWaalsContact C-N 3.27Å; L805-N807 PolarHBondContact O-N 3.47Å
808	K	48.8	Very low	54.4	Low	177 Å²	177	130.3 Å²	130.3	77%	0.77	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-7.4	178.8	-75.7	-168.8	176.2	-176.5	0	115.1	H806	H806-K808 PolarHBondContact O-N 3.22Å; H806-K808 VanDerWaalsContact O-N 3.14Å
809	Q	48.7	Very low	52.2	Low	146 Å²	146	136.8 Å²	136.8	68%	0.682	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-30.9	-176.9	-72	-178.8	-31.6	0	0	113.6	T811	Q809-T811 VanDerWaalsContact C-N 3.32Å; Q809-T811 PolarHBondContact O-N 3.18Å
810	T	49.6	Very low	50.4	Low	87 Å²	87	137.5 Å²	137.5	53%	0.534	70%	0.696	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.9	-8.9	-175	34.4	0	0	0	0	115.5	V812	T810-V812 PolarHBondContact O-N 3.44Å
811	T	45.3	Very low	48.7	Very low	121 Å²	121	135.9 Å²	135.9	74%	0.742	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-11.4	175.4	47.9	0	0	0	0	114	Q809	Q809-T811 VanDerWaalsContact C-N 3.32Å; Q809-T811 PolarHBondContact O-N 3.18Å
812	V	47.8	Very low	47.1	Very low	115 Å²	115	142 Å²	142	70%	0.697	71%	0.712	S	S	*	*	S	Bend	trans	-91.3	-22.4	178.1	-176.4	0	0	0	0	111.9	T810 K814	T810-V812 PolarHBondContact O-N 3.44Å; V812-K814 VanDerWaalsContact C-N 3.34Å; V812-K814 PolarHBondContact O-N 3.1Å
813	E	46.8	Very low	45.9	Very low	163 Å²	163	144.9 Å²	144.9	76%	0.762	72%	0.722	S	S	*	*	S	Bend	trans	-83.7	80.1	178.2	-65.6	-151.9	134.7	0	0	112.2
814	K	42.5	Very low	45	Very low	173 Å²	173	151.6 Å²	151.6	75%	0.752	74%	0.741	S	S	*	*			trans	35.9	112.5	136	-62.4	165	-177.5	171	0	116.1	V812 E816	V812-K814 VanDerWaalsContact C-N 3.34Å; V812-K814 PolarHBondContact O-N 3.1Å; K814-E816 PolarHBondContact O-N 3.19Å
815	Y	43.5	Very low	44.2	Very low	246 Å²	246	154.6 Å²	154.6	97%	0.965	75%	0.747	S	S	*	*				50	34.1	80.4	-87.1	-95.7	0	0	0	116
816	E	39.1	Very low	43.5	Very low	147 Å²	147	154.3 Å²	154.3	69%	0.687	75%	0.75	S	S	*	*			trans	-142.2	157.5	163.6	-118.2	177.7	-125.4	0	0	112.3	K814	K814-E816 PolarHBondContact O-N 3.19Å
817	K	42.7	Very low	42.7	Very low	186 Å²	186	153 Å²	153	81%	0.809	75%	0.752	S	S	*	*			trans	62.3	58.8	171.7	-65.6	152.1	-165.9	154.1	0	115.5
818	N	36.9	Very low	42.1	Very low	134 Å²	134	150.7 Å²	150.7	72%	0.717	75%	0.747	S	S	*	*			trans	-53.5	144.2	158.9	-102.2	-78.1	0	0	0	113.1
819	K	37	Very low	41.8	Very low	177 Å²	177	151.4 Å²	151.4	77%	0.77	75%	0.75	S	S	*	*			trans	56	115.6	145.7	-59.7	166.9	-174.6	175.1	0	118.9
820	T	39.1	Very low	41.3	Very low	131 Å²	131	153.6 Å²	153.6	80%	0.804	76%	0.757	S	S	*	*				-179.5	129.8	107.3	26.5	0	0	0	0	113.8
821	V	43.5	Very low	40.5	Very low	120 Å²	120	154.2 Å²	154.2	73%	0.727	77%	0.771	S	S	*	*			trans	52.9	126.6	130.4	-179.7	0	0	0	0	118.4
822	K	38.8	Very low	40.2	Very low	197 Å²	197	155.6 Å²	155.6	86%	0.857	77%	0.772	S	S	*	*			cis	-157.2	163.3	26.6	-136.3	153	-155.9	168.3	0	112.6
823	H	36.2	Very low	39.5	Very low	173 Å²	173	155.1 Å²	155.1	80%	0.801	77%	0.771	S	S	*	*			trans	-107.7	160.4	-179.1	-103	-123.8	0	0	0	114.8
824	K	39.2	Very low	38.7	Very low	198 Å²	198	154.7 Å²	154.7	86%	0.861	77%	0.773	S	S	*	*			trans	-168.5	112.6	146	-98.1	177.1	-176.6	-175.6	0	105.7
825	E	38.5	Very low	38.3	Very low	153 Å²	153	156.4 Å²	156.4	72%	0.715	78%	0.777	S	S	*	*				52.3	128.7	64.8	-59.6	-165.7	116.7	0	0	112.3
826	V	41.2	Very low	37.7	Very low	123 Å²	123	150.7 Å²	150.7	75%	0.745	76%	0.762	S	S	*	*			cis	-143.4	125.1	44.2	171.5	0	0	0	0	109.9
827	T	38.1	Very low	37.5	Very low	115 Å²	115	152.2 Å²	152.2	71%	0.706	77%	0.766	S	S	*	*				39.6	152.5	105.3	96.1	0	0	0	0	117.7
828	S	40.9	Very low	36.9	Very low	83 Å²	83	151 Å²	151	58%	0.58	76%	0.764	S	S	*	*			cis	-162	157.5	8.9	83.8	0	0	0	0	112.6
829	K	42	Very low	36.8	Very low	192 Å²	192	152.8 Å²	152.8	84%	0.835	77%	0.768	S	S	*	*			trans	54.2	140.9	143	-59.3	161.7	-172.2	173.8	0	119
830	K	39	Very low	36.7	Very low	192 Å²	192	153.5 Å²	153.5	84%	0.835	77%	0.774	S	S	*	*			cis	-141.2	157.9	23.6	-66.2	176.9	175.6	179.2	0	112.4
831	A	31.8	Very low	36.3	Very low	99 Å²	99	154.6 Å²	154.6	82%	0.818	77%	0.77	S	S	*	*			trans	-141.5	141.9	155.6	0	0	0	0	0	108.9
832	I	39	Very low	35.9	Very low	151 Å²	151	156.8 Å²	156.8	77%	0.774	77%	0.769	S	S	*	*			trans	-157	154	171.6	12.9	177.1	0	0	0	107.7
833	P	34.7	Very low	35.5	Very low	104 Å²	104	152.9 Å²	152.9	68%	0.675	76%	0.763	S	S	*	*				-130.5	173.5	-104.9	40.6	-26.6	0	0	0	115.4
834	L	29.5	Very low	35.3	Very low	155 Å²	155	151.2 Å²	151.2	81%	0.812	76%	0.759	S	S	*	*			trans	-59.1	142.9	155.5	-87.4	157.4	0	0	0	110.4
835	Y	33.9	Very low	34.9	Very low	208 Å²	208	149.5 Å²	149.5	82%	0.816	75%	0.754	S	S	*	*			trans	-119.1	105.5	156.9	-120.4	-81.1	0	0	0	108
836	L	30.6	Very low	34.5	Very low	127 Å²	127	147.5 Å²	147.5	67%	0.665	76%	0.756	S	S	*	*			trans	-83	147.7	157	-76.5	163.4	0	0	0	107.7
837	K	34.7	Very low	34.1	Very low	178 Å²	178	146.3 Å²	146.3	77%	0.774	75%	0.754	S	S	*	*			trans	-123.5	121.8	146.5	-91.9	-159.6	161.7	-148.6	0	107.5
838	E	31.4	Very low	33.8	Very low	162 Å²	162	148.2 Å²	148.2	76%	0.757	76%	0.758	S	S	*	*			trans	-94.8	130.1	173.8	-60.6	158.4	135.1	0	0	106.9
839	E	34.9	Very low	33.2	Very low	171 Å²	171	149.1 Å²	149.1	80%	0.799	76%	0.764	S	S	*	*			trans	178.5	120	167.6	-101.5	149.9	-142.9	0	0	105.2
840	E	33.7	Very low	32.9	Very low	192 Å²	192	147 Å²	147	90%	0.897	76%	0.761	S	S	*	*			cis	-132	149.2	-0.9	-66.5	-174.1	107.2	0	0	112.3
841	E	31	Very low	32.6	Very low	154 Å²	154	144.7 Å²	144.7	72%	0.72	76%	0.758	S	S	*	*			trans	-97.7	127.7	169.8	171.7	-149.9	-115.9	0	0	108.7
842	K	34.2	Very low	32.7	Very low	165 Å²	165	147.4 Å²	147.4	72%	0.717	76%	0.757	S	S	*	*			trans	178.9	151.4	132.1	-99.5	151.7	-158	121.3	0	119
843	T	31.9	Very low	32.3	Very low	116 Å²	116	145.3 Å²	145.3	71%	0.712	75%	0.754	S	S	*	*			trans	67.8	127.8	144	48.4	0	0	0	0	122.8
844	L	32	Very low	32.1	Very low	138 Å²	138	145.3 Å²	145.3	72%	0.723	76%	0.763	S	S	*	*			trans	62	116	148.3	-81.6	77.9	0	0	0	116.6
845	E	30	Very low	32.4	Very low	162 Å²	162	146.8 Å²	146.8	76%	0.757	76%	0.762	S	S	*	*			cis	106.4	129.1	49.5	-93.1	-179.3	-169.5	0	0	109.7
846	S	30.4	Very low	32.3	Very low	110 Å²	110	144.8 Å²	144.8	77%	0.769	77%	0.766	S	S	*	*			trans	65.6	170.5	179.9	84.7	0	0	0	0	116.3
847	S	33.5	Very low	32.5	Very low	99 Å²	99	144.9 Å²	144.9	69%	0.692	77%	0.771	S	S	*	*			trans	63	79.7	157.3	-49.9	0	0	0	0	117.9
848	I	31.3	Very low	32.3	Very low	154 Å²	154	145.6 Å²	145.6	79%	0.79	78%	0.777	S	S	*	*				-151.9	90.6	119.3	-92.8	146.2	0	0	0	107.2	L850	I848-L850 HydrophobicContact CG2-CD1 4.07Å; I848-L850 HydrophobicContact CG2-CG 4.22Å
849	S	28.6	Very low	32.3	Very low	102 Å²	102	142.9 Å²	142.9	71%	0.713	77%	0.772	S	S	*	*			trans	-93.1	106.2	154.6	49.8	0	0	0	0	106.5
850	L	34.4	Very low	32.4	Very low	147 Å²	147	143 Å²	143	77%	0.77	78%	0.778	S	S	*	*			trans	-99.8	90.1	171.5	-91.2	166.5	0	0	0	108.9	I848 I852	I848-L850 HydrophobicContact CG2-CD1 4.07Å; I848-L850 HydrophobicContact CG2-CG 4.22Å; L850-I852 PolarHBondContact O-N 3.14Å
851	D	32.7	Very low	32.6	Very low	145 Å²	145	140.8 Å²	140.8	78%	0.775	77%	0.765	S	S	*	*			trans	-62.1	114.9	170.6	-66.3	-64.6	0	0	0	110.1
852	I	33.6	Very low	32.7	Very low	155 Å²	155	135.3 Å²	135.3	80%	0.795	75%	0.75	S	S	*	*			trans	-101.8	125.2	160.7	-61	-179.3	0	0	0	106.2	L850 A854	L850-I852 PolarHBondContact O-N 3.14Å; I852-A854 PolarHBondContact O-N 3.11Å; I852-A854 VanDerWaalsContact O-N 3.09Å
853	P	31.8	Very low	32.5	Very low	108 Å²	108	136.7 Å²	136.7	70%	0.701	75%	0.751	S	S	*	*			trans	-64.9	114.6	-165.8	-24.3	34.3	0	0	0	113.5	K855	P853-K855 VanDerWaalsContact C-N 3.33Å; P853-K855 PolarHBondContact O-N 3.32Å
854	A	31.2	Very low	32.6	Very low	104 Å²	104	136.4 Å²	136.4	86%	0.86	74%	0.744	S	S	*	*			trans	-68.2	89.1	168.1	0	0	0	0	0	110.2	I852	I852-A854 PolarHBondContact O-N 3.11Å; I852-A854 VanDerWaalsContact O-N 3.09Å
855	K	35.5	Very low	32.5	Very low	185 Å²	185	141.3 Å²	141.3	80%	0.804	75%	0.753	S	S	*	*			trans	-118.2	106.8	168.4	-81.7	-171	174.3	-178.8	0	110.2	P853 V857	P853-K855 VanDerWaalsContact C-N 3.33Å; P853-K855 PolarHBondContact O-N 3.32Å; K855-V857 PolarHBondContact O-N 2.83Å
856	N	32	Very low	32.6	Very low	167 Å²	167	142.1 Å²	142.1	89%	0.893	76%	0.762	S	S	*	*			trans	-6.9	103	168.9	-55.3	-1.4	0	0	0	116.3
857	V	33.6	Very low	32.5	Very low	128 Å²	128	139.9 Å²	139.9	78%	0.776	76%	0.756	S	S	*	*			trans	-135.6	123.4	152.8	-179.3	0	0	0	0	107.2	K855 T859	K855-V857 PolarHBondContact O-N 2.83Å; V857-T859 PolarHBondContact O-N 3.21Å
858	E	30.5	Very low	32.5	Very low	193 Å²	193	142.5 Å²	142.5	90%	0.902	77%	0.768	S	S	*	*			trans	-85.1	98.3	178.1	-65.9	175	119.3	0	0	110.8
859	T	31.5	Very low	32.5	Very low	106 Å²	106	139.7 Å²	139.7	65%	0.65	77%	0.768	S	S	*	*			trans	-160.6	129	149.6	46.3	0	0	0	0	109.4	V857	V857-T859 PolarHBondContact O-N 3.21Å
860	D	36.2	Very low	32.7	Very low	174 Å²	174	142.4 Å²	142.4	93%	0.93	78%	0.775	S	S	*	*			trans	-123.6	109.4	155	-143.4	-6.6	0	0	0	106.7
861	K	38.6	Very low	32.9	Very low	144 Å²	144	142.9 Å²	142.9	63%	0.626	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-102.4	136.6	-173.2	-76.3	-168	173.9	-167.1	0	110.4
862	G	32.5	Very low	32.9	Very low	39 Å²	39	141.2 Å²	141.2	40%	0.402	78%	0.776	S	S	.	*	P	Polyproline II helix	trans	-54.2	152	155.6	0	0	0	0	0	110.9	D120	D120-G862 WeakPolarHBondContact OD2-CA 3.48Å
863	W	30.1	Very low	33.1	Very low	195 Å²	195	139.9 Å²	139.9	74%	0.739	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-60.2	136.3	-168.5	-56	61	0	0	0	111.8	S119 D120 F121	S119-W863 VanDerWaalsContact CB-O 3.27Å; S119-W863 WeakPolarHBondContact CB-O 3.17Å; S119-W863 PolarHBondContact OG-O 2.92Å; D120-W863 WeakPolarHBondContact OD2-CB 3.48Å; D120-W863 PolarHBondContact OD2-N 3.24Å; F121-W863 AromaticContact CD2-CD1 3.8Å; F121-W863 AromaticContact CD2-NE1 3.98Å; F121-W863 AromaticContact CE2-NE1 3.72Å
864	I	34.3	Very low	33.5	Very low	109 Å²	109	142.4 Å²	142.4	56%	0.559	77%	0.774	S	S	*	*			trans	-114.1	125.4	169.9	-64.8	174.5	0	0	0	108.2
865	R	30.9	Very low	33.6	Very low	242 Å²	242	145.4 Å²	145.4	91%	0.913	77%	0.774	S	S	*	*			trans	-81.8	122.2	178.3	-146.8	176	-170	-176.3	1.6	109.1	G867	R865-G867 PolarHBondContact O-N 3.42Å
866	L	30.7	Very low	33.9	Very low	178 Å²	178	140.7 Å²	140.7	93%	0.932	76%	0.762	S	S	*	*			trans	-65.9	126.8	-178.7	-69.7	162.8	0	0	0	111.4
867	G	29.5	Very low	34.4	Very low	64 Å²	64	142 Å²	142	66%	0.66	76%	0.76	S	S	*	*			trans	169.5	119.5	173.3	0	0	0	0	0	112.3	R865	R865-G867 PolarHBondContact O-N 3.42Å
868	T	32.9	Very low	34.6	Very low	154 Å²	154	141.8 Å²	141.8	95%	0.945	75%	0.754	S	S	*	*			trans	56.3	141.5	-178.8	60.9	0	0	0	0	117
869	A	32.3	Very low	35	Very low	95 Å²	95	139.4 Å²	139.4	79%	0.785	75%	0.747	S	S	*	*			trans	-113.4	141.1	169.6	0	0	0	0	0	108.5
870	D	32.4	Very low	35.5	Very low	159 Å²	159	139.7 Å²	139.7	85%	0.85	75%	0.75	S	S	*	*				-159.7	166.8	125.4	-129.2	-31.7	0	0	0	112.8	A872	D870-A872 PolarHBondContact O-N 3.47Å
871	K	37.4	Very low	35.8	Very low	157 Å²	157	139.6 Å²	139.6	68%	0.683	75%	0.748	S	S	*	*			trans	-78.8	120.4	-167.2	-61.1	166.7	-172.5	165.7	0	113.1	H873	K871-H873 VanDerWaalsContact CB-CD2 3.49Å; K871-H873 WeakPolarHBondContact CB-CD2 3.3Å; K871-H873 VanDerWaalsContact CB-NE2 3.34Å; K871-H873 WeakPolarHBondContact CB-NE2 3.27Å; K871-H873 WeakPolarHBondContact CD-NE2 3.35Å; K871-H873 PolarHBondContact O-N 3.25Å; K871-H873 VanDerWaalsContact O-N 3.11Å
872	A	32.9	Very low	35.5	Very low	109 Å²	109	137.2 Å²	137.2	90%	0.901	76%	0.755	S	S	*	*			trans	-68.8	103.6	164.3	0	0	0	0	0	110.1	D870	D870-A872 PolarHBondContact O-N 3.47Å
873	H	39.1	Very low	35.6	Very low	128 Å²	128	144.8 Å²	144.8	59%	0.593	78%	0.78	S	S	*	*			trans	-105	134	171.6	-73.6	-80.1	0	0	0	110.2	K871	K871-H873 VanDerWaalsContact CB-CD2 3.49Å; K871-H873 WeakPolarHBondContact CB-CD2 3.3Å; K871-H873 VanDerWaalsContact CB-NE2 3.34Å; K871-H873 WeakPolarHBondContact CB-NE2 3.27Å; K871-H873 WeakPolarHBondContact CD-NE2 3.35Å; K871-H873 PolarHBondContact O-N 3.25Å; K871-H873 VanDerWaalsContact O-N 3.11Å
874	L	39.5	Very low	35.7	Very low	161 Å²	161	141 Å²	141	84%	0.843	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-54.5	147.1	179.9	-66.2	163.8	0	0	0	112.2	P876	L874-P876 WeakPolarHBondContact O-CD 3.27Å
875	L	34.2	Very low	35.6	Very low	167 Å²	167	142.3 Å²	142.3	87%	0.874	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.8	126.5	174.9	-75.9	164	0	0	0	110.7
876	P	39.9	Very low	35.8	Very low	85 Å²	85	136.7 Å²	136.7	55%	0.552	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62.4	137.6	166.1	-19.5	32.6	0	0	0	110.4	L874	L874-P876 WeakPolarHBondContact O-CD 3.27Å
877	K	42.7	Very low	36	Very low	195 Å²	195	134.1 Å²	134.1	85%	0.848	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.7	126.8	170.2	-68.7	-173.3	-178	-173.5	0	108.7	L879	K877-L879 PolarHBondContact O-N 3.03Å
878	L	38.9	Very low	36.3	Very low	123 Å²	123	140.7 Å²	140.7	64%	0.644	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-58.7	132.1	170.6	-69.3	169.4	0	0	0	109.7	L541	L541-L878 HydrophobicContact CD2-CD2 4.17Å
879	L	39.5	Very low	36.1	Very low	144 Å²	144	144.8 Å²	144.8	75%	0.754	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-71.7	127.7	177.5	-76	168.2	0	0	0	110.6	K877	K877-L879 PolarHBondContact O-N 3.03Å
880	P	41.6	Very low	36.1	Very low	111 Å²	111	146 Å²	146	72%	0.721	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.8	146.3	164	30.9	-33	0	0	0	109.8	A882	P880-A882 PolarHBondContact O-N 3.17Å
881	I	41	Very low	35.9	Very low	173 Å²	173	146.2 Å²	146.2	89%	0.887	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-64.7	132.3	171.9	-62.5	175.2	0	0	0	108.2
882	A	33.9	Very low	36.3	Very low	93 Å²	93	144.8 Å²	144.8	77%	0.769	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.5	125.9	-164	0	0	0	0	0	113.9	P880	P880-A882 PolarHBondContact O-N 3.17Å
883	E	34.9	Very low	36.5	Very low	198 Å²	198	145.7 Å²	145.7	93%	0.925	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-102.3	146	146.4	-69.1	-166.6	156.1	0	0	109.3
884	S	32	Very low	36	Very low	116 Å²	116	151.5 Å²	151.5	81%	0.811	82%	0.818	S	S	*	*			trans	-113.4	118.8	-162.7	53.5	0	0	0	0	113.9
885	C	31.9	Very low	36	Very low	136 Å²	136	153.5 Å²	153.5	92%	0.919	82%	0.82	S	S	*	*			trans	-157.9	166.1	150.6	-109.9	0	0	0	0	113.5
886	T	34.6	Very low	36.1	Very low	125 Å²	125	154.5 Å²	154.5	77%	0.767	82%	0.818	S	S	*	*			trans	-101.4	146.8	-159.3	59.4	0	0	0	0	114.8
887	P	34.6	Very low	35.9	Very low	123 Å²	123	160.8 Å²	160.8	80%	0.799	83%	0.83	S	S	*	*			trans	-86.9	149.7	177.4	34.5	-35.1	0	0	0	113.4
888	K	36.9	Very low	35.6	Very low	203 Å²	203	158.7 Å²	158.7	88%	0.883	83%	0.828	S	S	*	*			trans	-134.3	147.5	164.2	-76.1	-175.7	178.3	173.8	0	111.5
889	R	28	Very low	35.4	Very low	239 Å²	239	157 Å²	157	90%	0.902	83%	0.832	S	S	*	*			trans	-79.1	155.8	-175.9	-62.2	170.2	166.8	178.6	-5.6	112.5
890	C	32.3	Very low	35.4	Very low	121 Å²	121	158.2 Å²	158.2	82%	0.818	84%	0.838	S	S	*	*				176.7	144.6	106.4	-94.4	0	0	0	0	114
891	N	28.1	Very low	35.1	Very low	163 Å²	163	159.9 Å²	159.9	87%	0.872	83%	0.834	S	S	*	*			trans	-113.9	137.8	172.8	-76.7	-9.9	0	0	0	111.2
892	P	45.3	Very low	34.8	Very low	127 Å²	127	159.7 Å²	159.7	83%	0.825	82%	0.823	S	S	*	*			trans	-96.9	167.9	161.5	-5.1	25.7	0	0	0	113.5
893	P	37	Very low	35	Very low	129 Å²	129	162 Å²	162	84%	0.838	82%	0.818	S	S	*	*			trans	-112.1	168	-157.4	41	-35.5	0	0	0	118.1
894	R	28.9	Very low	35	Very low	249 Å²	249	160.9 Å²	160.9	94%	0.94	81%	0.813	S	S	*	*			trans	-70.2	135	175.4	-70.9	172.2	162.7	173.8	-6.5	115
895	K	39.8	Very low	35.3	Very low	203 Å²	203	160.7 Å²	160.7	88%	0.883	81%	0.811	S	S	*	*			trans	-145.2	125.5	144.9	-65.1	-178.5	-178.3	172.2	0	107.2
896	K	36	Very low	35.5	Very low	188 Å²	188	159 Å²	159	82%	0.817	80%	0.801	S	S	*	*				89.2	122.3	51	-102.4	-171.7	176	177	0	114.6
897	R	36.9	Very low	35.8	Very low	217 Å²	217	158 Å²	158	82%	0.819	80%	0.799	S	S	*	*			trans	75.5	150.8	163.1	-63.2	-174.1	164.4	151.7	-6.8	116.1
898	N	36.4	Very low	36	Very low	151 Å²	151	160.9 Å²	160.9	81%	0.807	80%	0.802	S	S	*	*			cis	-150.4	-177.4	-3.1	-117.3	10.7	0	0	0	111
899	A	34.4	Very low	36.1	Very low	87 Å²	87	155.8 Å²	155.8	72%	0.719	80%	0.798	S	S	*	*			trans	-120	-171.2	-175.4	0	0	0	0	0	113.8
900	I	38.5	Very low	36.7	Very low	171 Å²	171	148.9 Å²	148.9	88%	0.877	79%	0.786	S	S	*	*			trans	106.9	149.2	171	-59.8	156.3	0	0	0	114.4
901	K	35.1	Very low	37	Very low	146 Å²	146	150.2 Å²	150.2	64%	0.635	79%	0.785	S	S	*	*				-176.2	140.3	-51.5	-142.1	-175.1	-179.1	-155.9	0	109.8
902	Y	35.8	Very low	37.4	Very low	169 Å²	169	148 Å²	148	66%	0.663	78%	0.778	S	S	*	*			trans	61.6	166.5	160.6	-65.8	-39.5	0	0	0	118.5
903	E	36.6	Very low	37.1	Very low	142 Å²	142	150.6 Å²	150.6	66%	0.664	78%	0.779	S	S	*	*			cis	-156.3	131.4	-10.8	-114.8	151.6	-156.1	0	0	106.7
904	E	36.2	Very low	37	Very low	174 Å²	174	151.8 Å²	151.8	81%	0.813	78%	0.776	S	S	*	*				100.6	158.7	89.4	-127.1	-173.6	-151.6	0	0	116.2
905	S	37.5	Very low	37.5	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	77%	0.767	S	S	*	*			trans	68.8	152.2	171.6	76.3	0	0	0	0	119.7
906	S	37.4	Very low	37.3	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	76%	0.757	S	S	*	*			cis	-173.7	165.8	-33.1	53.1	0	0	0	0	111.4
907	S	39.7	Very low	37.6	Very low	104 Å²	104	136.3 Å²	136.3	73%	0.727	75%	0.753	S	S	*	*			trans	72.7	152.8	162.9	81.6	0	0	0	0	118.3
908	E	38.7	Very low	37.9	Very low	182 Å²	182	132.8 Å²	132.8	85%	0.85	74%	0.743	S	S	*	*			cis	-166.4	167.1	-24.3	-117.4	172	173.8	0	0	110.8
909	A	40	Very low	38.1	Very low	96 Å²	96	133.7 Å²	133.7	79%	0.793	74%	0.737	S	S	*	*			trans	64	155.6	161.3	0	0	0	0	0	119.3
910	S	40.6	Very low	38.3	Very low	94 Å²	94	136.3 Å²	136.3	66%	0.657	74%	0.739	S	S	*	*			cis	-170	136.2	-22.5	50.9	0	0	0	0	110.6
911	D	37.9	Very low	38.4	Very low	150 Å²	150	133 Å²	133	80%	0.802	73%	0.73	S	S	*	*			trans	57	165.5	153.1	-49.7	-36	0	0	0	118.8
912	T	37.7	Very low	38.7	Very low	116 Å²	116	129.8 Å²	129.8	71%	0.712	73%	0.731	S	S	*	*			cis	-151.4	151.6	12.5	-28.3	0	0	0	0	112.2
913	E	37.1	Very low	38.8	Very low	182 Å²	182	129 Å²	129	85%	0.85	74%	0.739	S	S	*	*			trans	67.2	151.5	148.1	-91	161.6	-133.4	0	0	124.5
914	I	36.1	Very low	38.9	Very low	153 Å²	153	130 Å²	130	79%	0.785	74%	0.744	S	S	*	*			trans	-143.9	146.7	177.6	-38.3	171	0	0	0	105.8
915	P	39.6	Very low	38.8	Very low	115 Å²	115	131.1 Å²	131.1	75%	0.747	75%	0.746	S	S	*	*				-153.8	115.9	123.6	33.4	-13.2	0	0	0	117.6
916	S	35.8	Very low	38.7	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	74%	0.743	S	S	*	*				69.9	152.7	123.4	80.5	0	0	0	0	124.1
917	S	41.4	Very low	38.6	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	74%	0.744	S	S	*	*			trans	83.3	152.7	147.7	92.8	0	0	0	0	116.9
918	K	42.6	Very low	38.4	Very low	143 Å²	143	136.9 Å²	136.9	62%	0.622	74%	0.743	S	S	*	*			cis	-163.9	161.8	3.7	-142.5	164.7	174.8	-160.7	0	111.6
919	Y	40.7	Very low	38.2	Very low	171 Å²	171	134.3 Å²	134.3	67%	0.671	74%	0.744	S	S	*	*			trans	65.1	170.7	163.8	-56	-53.9	0	0	0	116.3
920	D	38.8	Very low	38	Very low	141 Å²	141	136.9 Å²	136.9	75%	0.754	74%	0.744	S	S	*	*			cis	-169.7	169.4	-46.2	-95.4	-1	0	0	0	106.3
921	S	41.6	Very low	37.8	Very low	101 Å²	101	138.3 Å²	138.3	71%	0.706	76%	0.755	S	S	*	*			cis	-177.9	170.8	-29.3	-172.9	0	0	0	0	106.8
922	A	41.5	Very low	37.7	Very low	79 Å²	79	136.5 Å²	136.5	65%	0.653	75%	0.754	S	S	*	*			trans	63.3	157.5	175.5	0	0	0	0	0	115.9
923	D	37.6	Very low	37.7	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	76%	0.763	S	S	*	*			cis	-151.6	-175.6	-15.6	-111.1	-21	0	0	0	110.7
924	E	37.7	Very low	37.7	Very low	163 Å²	163	138.2 Å²	138.2	76%	0.762	76%	0.759	S	S	*	*			trans	-52	152.1	175.8	-52.9	176.5	107.9	0	0	114.3
925	F	34	Very low	37.8	Very low	197 Å²	197	137.4 Å²	137.4	86%	0.864	76%	0.757	S	S	*	*				-162.5	159.8	105.4	-121.1	-92	0	0	0	112.5
926	V	36.8	Very low	37.7	Very low	120 Å²	120	138.7 Å²	138.7	73%	0.727	76%	0.758	S	S	*	*			trans	-112.9	131.9	-174.6	170.5	0	0	0	0	110
927	E	35.2	Very low	37.8	Very low	156 Å²	156	141.2 Å²	141.2	73%	0.729	76%	0.763	S	S	*	*				-162.4	167.8	127.9	-113.2	-164.7	140	0	0	116.3
928	K	34.5	Very low	37.6	Very low	161 Å²	161	143.5 Å²	143.5	70%	0.7	77%	0.765	S	S	*	*			trans	-72.4	161.6	-167	-41.3	113.3	-179.1	166.3	0	113.5
929	C	35.5	Very low	37.3	Very low	128 Å²	128	143.5 Å²	143.5	87%	0.865	78%	0.775	S	S	*	*				-152.4	137	124.9	-138.1	0	0	0	0	111.2
930	D	35.9	Very low	37	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	78%	0.782	S	S	*	*			trans	-86.5	134.6	173.5	-60	-71.5	0	0	0	110.7
931	S	36.9	Very low	36.9	Very low	125 Å²	125	141.6 Å²	141.6	87%	0.874	79%	0.785	S	S	*	*			trans	-154.1	141.5	160.2	-72	0	0	0	0	110.8
932	S	34.3	Very low	36.5	Very low	112 Å²	112	145 Å²	145	78%	0.783	79%	0.791	S	S	*	*			trans	-80.7	145.1	-179.9	50.9	0	0	0	0	115.1
933	E	38.5	Very low	36	Very low	195 Å²	195	151 Å²	151	91%	0.911	80%	0.804	S	S	*	*				-120.3	0	126	-81.8	-161.4	151.5	0	0	108	K102	K102-E933 IonicContact NZ-OE1 2.73Å; K102-E933 PolarHBondContact NZ-OE1 3.43Å; K102-E933 IonicContact NZ-OE2 3.61Å; K102-E933 PolarHBondContact NZ-OE2 2.72Å

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